Aegelbine A - Compound Card

Aegelbine A

Select a section from the left sidebar

Aegelbine A

Structure
Zoomed Structure
  • Family: Rutaceae
  • Kingdom: Plantae
  • Class: Alkaloid
    • Subclass: Furoquinoline Alkaloid
Canonical Smiles Oc1ccc2c(c1O)nc1c(c2)cco1
InChI InChI=1S/C11H7NO3/c13-8-2-1-6-5-7-3-4-15-11(7)12-9(6)10(8)14/h1-5,13-14H
InChIKey BQSWYUZIPYEPCX-UHFFFAOYSA-N
Formula C11H7NO3
HBA 4
HBD 2
MW 201.18
Rotatable Bonds 0
TPSA 66.49
LogP 2.39
Number Rings 3
Number Aromatic Rings 3
Heavy Atom Count 15
Formal Charge 0
Fraction CSP3 0.0
Exact Mass 201.04
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Aegle marmelos Rutaceae Plantae 68527

Showing of synonyms

  • Mohammed M.M.D, Ibrahim N.A, et al. (2016). Two new cytotoxic furoquinoline alkaloids isolated from Aegle marmelos (Linn) Correa. Natural product research, 2016, 30(22), 2559-2566. [View] [PubMed]

No compound-protein relationship available.

Structure

SMILES: c1coc(c12)nc3c(c2)cccc3

Level: 0

Mol. Weight: 169.18 g/mol

Cytotoxic

Absorption

Caco-2 (logPapp)
-4.71
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.540
Human Oral Bioavailability 50%
Non-Bioavailable
P-Glycoprotein Inhibitor
Non-Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-1.5

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.080
Plasma Protein Binding
72.59
Steady State Volume of Distribution
-

Metabolism

Breast Cancer Resistance Protein
Inhibitor
CYP 1A2 Inhibitor
Inhibitor
CYP 1A2 Substrate
Substrate
CYP 2C19 Inhibitor
Non-Inhibitor
CYP 2C19 Substrate
Non-Substrate
CYP 2C9 Inhibitor
Non-Inhibitor
CYP 2C9 Substrate
Non-Substrate
CYP 2D6 Inhibitor
Inhibitor
CYP 2D6 Substrate
Non-Substrate
CYP 3A4 Inhibitor
Non-Inhibitor
CYP 3A4 Substrate
Non-Substrate
OATP1B1
Non-Inhibitor
OATP1B3
Non-Inhibitor

Excretion

Clearance
11.740
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Safe
Bioconcentration Factor
0.950
Biodegradation
Safe
Carcinogenesis
Toxic
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Toxic
Maximum Tolerated Dose
-0.090
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
4.680
Micronucleos
Toxic
NR-AhR
Toxic
NR-AR
Safe
NR-AR-LBD
Safe
NR-Aromatase
Safe
NR-ER
Safe
NR-ER-LBD
Safe
NR-GR
Safe
NR-PPAR-gamma
Safe
NR-TR
Safe
T. Pyriformis
3.890
Rat (Acute)
2.420
Rat (Chronic Oral)
2.520
Fathead Minnow
4.240
Respiratory Disease
Safe
Skin Sensitisation
Toxic
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
395.780
Hydration Free Energy
-13.160
Log(D) at pH=7.4
1.920
Log(P)
1.65
Log S
-2.83
Log(Vapor Pressure)
-8.41
Melting Point
249.62
pKa Acid
7.01
pKa Basic
5.6
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9402
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 3 0.9302
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9280
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.9258
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.9169
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.9132
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.9113
Calmodulin-2 P0DP24 CALM2_HUMAN Homo sapiens 3 0.9071
Cyclin-dependent kinase 6 Q00534 CDK6_HUMAN Homo sapiens 3 0.9066
Alcohol dehydrogenase E chain P00327 ADH1E_HORSE Equus caballus 4 0.9059
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.9037
Tubulin alpha-1B chain P81947 TBA1B_BOVIN Bos taurus 3 0.9031
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 3 0.8961
TetR family transcriptional regulator Q58L87 Q58L87_MYCSM Mycolicibacterium smegmatis 3 0.8961
Putative ketoacyl reductase P16544 ACT3_STRCO Streptomyces coelicolor / M145) 3 0.8886
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 3 0.8881
Norsolorinic acid synthase Q12053 AFLC_ASPPU Aspergillus parasiticus 3 0.8876
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.8864
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.8813
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8811
Protein ppBat Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron VPI-5482 3 0.8794
Riboflavin biosynthesis protein Q9WZW1 Q9WZW1_THEMA Thermotoga maritima 4 0.8792
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.8779
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.8755
Alcohol dehydrogenase E chain P00327 ADH1E_HORSE Equus caballus 4 0.8743
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.8743
Protein S100-A13 Q99584 S10AD_HUMAN Homo sapiens 3 0.8732
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.8717
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 3 0.8687
Odorant-binding protein P81245 OBP_PIG Sus scrofa 3 0.8666
NAD(P)H-hydrate epimerase Q8K4Z3 NNRE_MOUSE Mus musculus 3 0.8626
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.8618
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8572
Mitogen-activated protein kinase kinase kinase 5 Q99683 M3K5_HUMAN Homo sapiens 3 0.8553
cAMP-dependent protein kinase catalytic subunit alpha P05132 KAPCA_MOUSE Mus musculus 3 0.8542
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8533
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8529
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase P0AF12 MTNN_ECOLI Escherichia coli 3 0.8470
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8457
Tubulin alpha chain D0VWZ0 D0VWZ0_SHEEP Ovis aries 3 0.8424
Corticosteroid-binding globulin P08185 CBG_HUMAN Homo sapiens 3 0.8423
Alpha-1-acid glycoprotein 2 P19652 A1AG2_HUMAN Homo sapiens 3 0.8420
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.8412
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.8412
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8379
ATP-dependent molecular chaperone HSP82 P02829 HSP82_YEAST Saccharomyces cerevisiae 3 0.8373
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.8372
Enoyl-ACP reductase Q9BJJ9 Q9BJJ9_PLAFA Plasmodium falciparum 3 0.8372
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase F6MZ55 F6MZ55_9FIRM Sporomusa ovata 3 0.8369
Sodium-dependent dopamine transporter Q7K4Y6 DAT_DROME Drosophila melanogaster 3 0.8347
Retinoic acid receptor RXR-alpha P19793 RXRA_HUMAN Homo sapiens 3 0.8339
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.8329
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8323
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.8322
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.8317
Pteridine reductase O76290 O76290_TRYBB Trypanosoma brucei brucei 3 0.8316
Estrogen receptor P03372 ESR1_HUMAN Homo sapiens 3 0.8314
Biflaviolin synthase CYP158A1 Q9KZF5 C1581_STRCO Streptomyces coelicolor / M145) 3 0.8301
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 3 0.8285
Caspase-7 P55210 CASP7_HUMAN Homo sapiens 3 0.8273
Purine nucleoside phosphorylase DeoD-type P0ABP9 DEOD_ECO57 Escherichia coli O157:H7 3 0.8267
Aldo-keto reductase family 1 member B10 O60218 AK1BA_HUMAN Homo sapiens 3 0.8263
Activin receptor type-1 Q04771 ACVR1_HUMAN Homo sapiens 3 0.8260
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8258
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 3 0.8249
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.8241
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.8241
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8235
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8229
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 4 0.8218
Lethal factor P15917 LEF_BACAN Bacillus anthracis 3 0.8191
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.8189
Cathepsin S P25774 CATS_HUMAN Homo sapiens 3 0.8188
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 3 0.8181
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.8174
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 4 0.8160
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 3 0.8155
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 3 0.8128
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 3 0.8126
Purine nucleoside phosphorylase DeoD-type Q5EEL8 DEOD_BACCE Bacillus cereus 3 0.8124
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 3 0.8119
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8109
DNA polymerase III subunit epsilon P03007 DPO3E_ECOLI Escherichia coli 3 0.8108
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8088
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.8073
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 3 0.8071
Gag-Pol polyprotein P04585 POL_HV1H2 Human immunodeficiency virus type 1 group M subtype B 3 0.8068
3-phosphoinositide-dependent protein kinase 1 O15530 PDPK1_HUMAN Homo sapiens 4 0.8062
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 3 0.8061
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.8057
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.8055
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.8039
Aminoglycoside N(3)-acetyltransferase A0A3P1UCA6 Q81P86_BACAN Bacillus anthracis 3 0.8035
Achbp I6L8L2 I6L8L2_CAPTE Capitella teleta 3 0.8025
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.8000
Purine nucleoside phosphorylase Q8I3X4 Q8I3X4_PLAF7 Plasmodium falciparum 3 0.8000
Biphenyl-2,3-diol 1,2-dioxygenase P47228 BPHC_PARXL Paraburkholderia xenovorans 3 0.7991
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7967
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7953
Endoplasmin P14625 ENPL_HUMAN Homo sapiens 3 0.7947
17-beta-hydroxysteroid dehydrogenase type 1 P14061 DHB1_HUMAN Homo sapiens 3 0.7947
Bromodomain adjacent to zinc finger domain protein 2B Q9UIF8 BAZ2B_HUMAN Homo sapiens 3 0.7946
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 3 0.7943
Lactoperoxidase A0A452E9Y6 PERL_CAPHI Capra hircus 3 0.7941
NADH:flavin oxidoreductase Sye1 Q8EEC8 Q8EEC8_SHEON Shewanella oneidensis 3 0.7920
NAD-dependent protein deacetylase Q9WYW0 NPD_THEMA Thermotoga maritima 3 0.7918
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Q9UDY8 MALT1_HUMAN Homo sapiens 3 0.7907
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 4 0.7904
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7904
Purine nucleoside phosphorylase DeoD-type O34925 DEOD_BACSU Bacillus subtilis 3 0.7885
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 4 0.7878
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.7872
Glucose-1-phosphate thymidylyltransferase Q9AGY4 Q9AGY4_ANETH Aneurinibacillus thermoaerophilus 4 0.7872
Pteridine reductase, putative Q581W1 Q581W1_TRYB2 Trypanosoma brucei brucei 3 0.7865
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7865
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7863
Androgen receptor P10275 ANDR_HUMAN Homo sapiens 3 0.7854
Lysozyme C II P11941 LYSC2_ONCMY Oncorhynchus mykiss 3 0.7846
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7845
Serine/threonine-protein kinase Chk2 O96017 CHK2_HUMAN Homo sapiens 3 0.7845
Beta-2 adrenergic receptor P07550 ADRB2_HUMAN Homo sapiens 2 0.7844
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 3 0.7829
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7818
Catalase-peroxidase 2 O59651 KATG2_HALMA Haloarcula marismortui 3 0.7816
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7813
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7807
Purine nucleoside phosphorylase DeoD-type P0ABP8 DEOD_ECOLI Escherichia coli 3 0.7802
Gag-Pol polyprotein P04584 POL_HV2RO Human immunodeficiency virus type 2 subtype A 3 0.7798
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7797
HTH-type transcriptional regulator QacR P0A0N4 QACR_STAAU Staphylococcus aureus 3 0.7794
Serine/threonine-protein kinase toxin HipA P23874 HIPA_ECOLI Escherichia coli 3 0.7793
11-beta-hydroxysteroid dehydrogenase 1 P50172 DHI1_MOUSE Mus musculus 3 0.7791
Diphtheria toxin P00588 DTX_CORBE Corynephage beta 3 0.7772
Aurora kinase B-A Q6DE08 AUKBA_XENLA Xenopus laevis 3 0.7771
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A O76083 PDE9A_HUMAN Homo sapiens 3 0.7767
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7760
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 3 0.7750
Bifunctional dihydrofolate reductase-thymidylate synthase O02604 DRTS_PLAVI Plasmodium vivax 3 0.7749
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7747
Biphenyl-2,3-diol 1,2-dioxygenase P17297 BPHC_PSES1 Pseudomonas sp 3 0.7743
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 3 0.7741
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7727
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 3 0.7697
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7692
Putative protease I Q8A8A4 Q8A8A4_BACTN Bacteroides thetaiotaomicron 2 0.7689
Estrogen receptor P03372 ESR1_HUMAN Homo sapiens 3 0.7682
Probable NDP-rhamnosyltransferase Q9ALM8 Q9ALM8_SACSN Saccharopolyspora spinosa 2 0.7669
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 3 0.7662
Renin P00797 RENI_HUMAN Homo sapiens 2 0.7660
Purine nucleoside phosphorylase DeoD-type P0ABP9 DEOD_ECO57 Escherichia coli O157:H7 3 0.7653
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7645
Ephrin type-B receptor 2 P54763 EPHB2_MOUSE Mus musculus 3 0.7639
Purine nucleoside phosphorylase DeoD-type Q5EEL8 DEOD_BACCE Bacillus cereus 3 0.7637
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7637
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7633
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7628
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7627
Nitric oxide synthase 3 P29474 NOS3_HUMAN Homo sapiens 3 0.7625
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7623
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.7623
Focal adhesion kinase 1 Q00944 FAK1_CHICK Gallus gallus 3 0.7617
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7617
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7616
Hexokinase-4 P35557 HXK4_HUMAN Homo sapiens 3 0.7615
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7610
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7605
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.7601
AGAP003309-PA A0A1U7F4W2 A0A1U7F4W2_ANOGA Anopheles gambiae 3 0.7593
RIO-type serine/threonine-protein kinase Rio1 O28471 RIO1_ARCFU Archaeoglobus fulgidus 3 0.7585
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7579
Ephrin type-B receptor 4 P54760 EPHB4_HUMAN Homo sapiens 3 0.7564
Tyrosine-protein kinase Lck P06239 LCK_HUMAN Homo sapiens 3 0.7559
Focal adhesion kinase 1 Q00944 FAK1_CHICK Gallus gallus 3 0.7556
Ferrochelatase, mitochondrial P22830 HEMH_HUMAN Homo sapiens 2 0.7556
NAD(P)H dehydrogenase [quinone] 1 P15559 NQO1_HUMAN Homo sapiens 3 0.7553
ADP-ribosylation factor 1 P84080 ARF1_BOVIN Bos taurus 3 0.7551
Nucleoprotein P33469 NCAP_CVHOC Human coronavirus OC43 3 0.7550
Focal adhesion kinase 1 Q00944 FAK1_CHICK Gallus gallus 3 0.7541
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7538
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7524
Naphthalene 1,2-dioxygenase system, large oxygenase component P0A110 NDOB_PSEPU Pseudomonas putida 3 0.7514
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7512
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7508
Cholinesterase P06276 CHLE_HUMAN Homo sapiens 2 0.7500
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7499
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7499
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7498
Tubulin alpha-1B chain P81947 TBA1B_BOVIN Bos taurus 3 0.7496
Myosin heavy chain, striated muscle P24733 MYS_ARGIR Argopecten irradians 3 0.7496
Beta sliding clamp P0A988 DPO3B_ECOLI Escherichia coli 2 0.7495
Kinesin-like protein KIF11 P52732 KIF11_HUMAN Homo sapiens 3 0.7492
F420-dependent NADP reductase O29370 FNO_ARCFU Archaeoglobus fulgidus 3 0.7491
Mitogen-activated protein kinase 1 P63086 MK01_RAT Rattus norvegicus 3 0.7482
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7482
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7469
glutaryl-CoA dehydrogenase (ETF) Q3JP94 Q3JP94_BURP1 Burkholderia pseudomallei 3 0.7466
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7460
Tubulin alpha chain D0VWZ0 D0VWZ0_SHEEP Ovis aries 3 0.7459
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7459
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7452
cGMP-dependent protein kinase, putative A5K0N4 A5K0N4_PLAVS Plasmodium vivax 3 0.7450
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7450
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 3 0.7449
Tyrosine-protein kinase JAK1 P23458 JAK1_HUMAN Homo sapiens 3 0.7446
Dodecin Q5SIE3 DODEC_THET8 Thermus thermophilus 4 0.7443
Catalase-peroxidase Q3JNW6 KATG_BURP1 Burkholderia pseudomallei 3 0.7443
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.7441
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7440
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 3 0.7439
Cytohesin-2 Q99418 CYH2_HUMAN Homo sapiens 3 0.7438
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7434
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 3 0.7434
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 3 0.7423
CmeR Q7B8P6 Q7B8P6_CAMJU Campylobacter jejuni 2 0.7423
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7416
Beta-galactosidase P00722 BGAL_ECOLI Escherichia coli 3 0.7412
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 2 0.7412
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7410
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7395
Cytochrome P450 130 P9WPN5 CP130_MYCTU Mycobacterium tuberculosis 2 0.7394
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 2 0.7392
Biotin carboxylase P24182 ACCC_ECOLI Escherichia coli 3 0.7392
Glutamate receptor 2 P19491 GRIA2_RAT Rattus norvegicus 3 0.7390
Lactotransferrin P24627 TRFL_BOVIN Bos taurus 2 0.7385
Glycylpeptide N-tetradecanoyltransferase Q4Q5S8 Q4Q5S8_LEIMA Leishmania major 3 0.7381
Bifunctional dihydrofolate reductase-thymidylate synthase O02604 DRTS_PLAVI Plasmodium vivax 3 0.7381
Lethal(3)malignant brain tumor-like protein 1 Q9Y468 LMBL1_HUMAN Homo sapiens 3 0.7375
Casein kinase I isoform gamma-3 Q9Y6M4 KC1G3_HUMAN Homo sapiens 3 0.7372
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7368
Casein kinase II subunit alpha P28523 CSK2A_MAIZE Zea mays 3 0.7367
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7364
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.7349
Cytochrome P450 2D6 P10635 CP2D6_HUMAN Homo sapiens 2 0.7348
Matrix metalloproteinase-9 P14780 MMP9_HUMAN Homo sapiens 3 0.7337
Serine/threonine-protein kinase pim-1 P11309 PIM1_HUMAN Homo sapiens 3 0.7335
Flavin-dependent thymidylate synthase Q9WYT0 THYX_THEMA Thermotoga maritima 3 0.7334
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7331
Steroid Delta-isomerase P00947 SDIS_COMTE Comamonas testosteroni 3 0.7331
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 3 0.7330
Mitogen-activated protein kinase 1 P63086 MK01_RAT Rattus norvegicus 3 0.7327
Aldo-keto reductase family 1 member C2 P52895 AK1C2_HUMAN Homo sapiens 2 0.7325
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7324
Estrogen receptor beta Q92731 ESR2_HUMAN Homo sapiens 3 0.7321
Biphenyl dioxygenase subunit alpha P37333 BPHA_PARXL Paraburkholderia xenovorans 3 0.7314
NADPH-dependent 7-cyano-7-deazaguanine reductase Q9KTK0 QUEF_VIBCH Vibrio cholerae serotype O1 3 0.7312
Dual specificity mitogen-activated protein kinase kinase 1 Q02750 MP2K1_HUMAN Homo sapiens 3 0.7297
Aldo-keto reductase family 1 member D1 P51857 AK1D1_HUMAN Homo sapiens 3 0.7276
Collagenase 3 P45452 MMP13_HUMAN Homo sapiens 2 0.7273
Protein mono-ADP-ribosyltransferase PARP3 Q9Y6F1 PARP3_HUMAN Homo sapiens 3 0.7258
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7254
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.7251
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7250
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7250
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7247
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 3 0.7245
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 4 0.7244
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7244
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha Q04631 FNTA_RAT Rattus norvegicus 3 0.7241
Pheromone-binding protein ASP1 Q9U9J6 Q9U9J6_APIME Apis mellifera 2 0.7237
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7236
D-alanine--D-alanine ligase Q5HEB7 DDL_STAAC Staphylococcus aureus 3 0.7236
Beta-glucosidase Q8T0W7 Q8T0W7_9NEOP Neotermes koshunensis 3 0.7234
Carminomycin 4-O-methyltransferase DnrK Q06528 DNRK_STRPE Streptomyces peucetius 2 0.7233
Acetylcholinesterase P04058 ACES_TETCF Tetronarce californica 3 0.7230
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7226
Peroxidase C1A P00433 PER1A_ARMRU Armoracia rusticana 3 0.7214
Serine/threonine-protein kinase SKY1 Q03656 SKY1_YEAST Saccharomyces cerevisiae 3 0.7209
Threonine synthase 1, chloroplastic Q9S7B5 THRC1_ARATH Arabidopsis thaliana 3 0.7206
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 3 0.7199
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7194
Beta-1 adrenergic receptor P07700 ADRB1_MELGA Meleagris gallopavo 3 0.7190
Phospholipase A2, membrane associated P14555 PA2GA_HUMAN Homo sapiens 2 0.7190
Alcohol dehydrogenase E chain P00327 ADH1E_HORSE Equus caballus 4 0.7189
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7184
Gag-Pol polyprotein P03366 POL_HV1B1 Human immunodeficiency virus type 1 group M subtype B 3 0.7177
Estrogen receptor beta Q92731 ESR2_HUMAN Homo sapiens 3 0.7176
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7174
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7166
Dihydrofolate reductase P0A017 DYR_STAAU Staphylococcus aureus 3 0.7164
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7163
Dihydrofolate reductase P00374 DYR_HUMAN Homo sapiens 3 0.7151
Bifunctional dihydrofolate reductase-thymidylate synthase D9N170 D9N170_PLAFA Plasmodium falciparum 3 0.7151
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7150
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 2 0.7139
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 3 0.7134
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7133
Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic Q43088 RBCMT_PEA Pisum sativum 3 0.7132
cAMP-dependent protein kinase catalytic subunit alpha P00517 KAPCA_BOVIN Bos taurus 3 0.7131
Biotin carboxylase P43873 ACCC_HAEIN Haemophilus influenzae 3 0.7130
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 4 0.7126
Jasmonoyl--L-amino acid synthetase JAR1 Q9SKE2 JAR1_ARATH Arabidopsis thaliana 3 0.7123
Soluble cytochrome b562 P0ABE7 C562_ECOLX Escherichia coli 3 0.7120
Nuclear receptor ROR-beta P45446 RORB_RAT Rattus norvegicus 2 0.7119
Stimulator of interferon genes protein Q86WV6 STING_HUMAN Homo sapiens 2 0.7119
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 P04191 AT2A1_RABIT Oryctolagus cuniculus 2 0.7114
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7103
Methylmalonyl-CoA decarboxylase P52045 SCPB_ECOLI Escherichia coli 3 0.7101
Riboflavin biosynthesis protein Q9WZW1 Q9WZW1_THEMA Thermotoga maritima 4 0.7099
DNA ligase P43813 DNLJ_HAEIN Haemophilus influenzae 2 0.7096
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7095
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7095
Riboflavin kinase Q969G6 RIFK_HUMAN Homo sapiens 4 0.7094
Carbonic anhydrase 4 P22748 CAH4_HUMAN Homo sapiens 3 0.7090
Prostaglandin G/H synthase 1 P05979 PGH1_SHEEP Ovis aries 2 0.7089
Dihydroorotate dehydrogenase (quinone), mitochondrial Q08210 PYRD_PLAF7 Plasmodium falciparum 3 0.7086
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7086
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7083
mitogen-activated protein kinase kinase Q7YTF7 Q7YTF7_PLAF7 Plasmodium falciparum 4 0.7080
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7079
4,4'-diapophytoene synthase A9JQL9 CRTM_STAAU Staphylococcus aureus 2 0.7068
17-beta-hydroxysteroid dehydrogenase 14 Q9BPX1 DHB14_HUMAN Homo sapiens 3 0.7062
Alcohol dehydrogenase E chain P00327 ADH1E_HORSE Equus caballus 4 0.7056
Catechol O-methyltransferase P22734 COMT_RAT Rattus norvegicus 3 0.7056
Estrogen receptor beta Q62986 ESR2_RAT Rattus norvegicus 3 0.7056
Terminal oxygenase component of carbazole Q84II6 Q84II6_JANS3 Janthinobacterium sp 2 0.7056
Glutamate receptor 2 P42262 GRIA2_HUMAN Homo sapiens 2 0.7055
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7045
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7045
Cell division cycle 7-related protein kinase O00311 CDC7_HUMAN Homo sapiens 3 0.7037
Oxygen-insensitive NAD(P)H nitroreductase P38489 NFSB_ECOLI Escherichia coli 3 0.7036
HLA class I histocompatibility antigen, B alpha chain P01889 HLAB_HUMAN Homo sapiens 3 0.7036
Casein kinase II subunit alpha P68400 CSK21_HUMAN Homo sapiens 3 0.7034
Dihydrofolate reductase type 1 from Tn4003 P13955 DYRA_STAAU Staphylococcus aureus 3 0.7031
NmrA-like family domain-containing protein 1 Q9HBL8 NMRL1_HUMAN Homo sapiens 2 0.7029
Pteridine reductase 1 Q01782 PTR1_LEIMA Leishmania major 3 0.7023
Poly [ADP-ribose] polymerase 1 P09874 PARP1_HUMAN Homo sapiens 3 0.7021
Adenosine kinase Q9TVW2 ADK_TOXGO Toxoplasma gondii 3 0.7017
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 DXR_ECOLI Escherichia coli 2 0.7014

Download SDF