Neorautanone - Compound Card

Neorautanone

Select a section from the left sidebar

Neorautanone

Structure
Zoomed Structure
  • Family: Plantae - Leguminosae/Fabaceae
  • Kingdom: Plantae
  • Class: Flavonoid
    • Subclass: Isoflavonoid
Canonical Smiles COc1cc(cc(c1OC)OC)C1COc2c(C1=O)cc1c(c2)occ1
InChI InChI=1S/C20H18O6/c1-22-17-7-12(8-18(23-2)20(17)24-3)14-10-26-16-9-15-11(4-5-25-15)6-13(16)19(14)21/h4-9,14H,10H2,1-3H3
InChIKey UVOSYRNAYALXRL-UHFFFAOYSA-N
Formula C20H18O6
HBA 6
HBD 0
MW 354.36
Rotatable Bonds 4
TPSA 67.13
LogP 3.82
Number Rings 4
Number Aromatic Rings 3
Heavy Atom Count 26
Formal Charge 0
Fraction CSP3 0.25
Exact Mass 354.11
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Neorautanenia mitis Leguminosae/Fabaceae Plantae 167620

Showing of synonyms

  • Joseph CC, Ndoile MM, et al. (2004). Larvicidal and mosquitocidal extracts, a coumarin, isoflavonoids and pterocarpans from Neorautanenia mitis.. Transactions of the Royal Society of Tropical Medicine and Hygiene,2004,98(8),451-455. [View] [PubMed]
Pubchem: 163058649

No compound-protein relationship available.

Structure

SMILES: c1coc(c12)cc3c(c2)C(=O)C(CO3)c4ccccc4

Level: 1

Mol. Weight: 354.36 g/mol

Structure

SMILES: c1coc(c12)cc3c(c2)C(=O)CCO3

Level: 0

Mol. Weight: 354.36 g/mol

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 354.36 g/mol

Larvicidal
Mosquitocidal

Absorption

Caco-2 (logPapp)
-4.77
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.730
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-1.91

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
1.310
Plasma Protein Binding
64.97
Steady State Volume of Distribution
-

Metabolism

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

Excretion

Clearance
6.070
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
1.860
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Toxic
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Safe
Maximum Tolerated Dose
0.520
Liver Injury II
Toxic
hERG Blockers
Safe
Daphnia Maga
7.200
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
-3.410
Rat (Acute)
2.970
Rat (Chronic Oral)
2.230
Fathead Minnow
5.320
Respiratory Disease
Safe
Skin Sensitisation
Safe
SR-ARE
Toxic
SR-ATAD5
Toxic
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
443.360
Hydration Free Energy
-7.190
Log(D) at pH=7.4
2.360
Log(P)
3.02
Log S
-4.78
Log(Vapor Pressure)
-7.63
Melting Point
144.99
pKa Acid
8.16
pKa Basic
3.14
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Beta-2-microglobulin P61769 B2MG_HUMAN Homo sapiens 3 0.9580
Beta-2-microglobulin P61769 B2MG_HUMAN Homo sapiens 3 0.9580
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.9559
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.9559
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.9316
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.9316
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.9241
Bromodomain-containing protein 2 P25440 BRD2_HUMAN Homo sapiens 3 0.9241
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.9077
CREB-binding protein Q92793 CBP_HUMAN Homo sapiens 3 0.9077
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.9060
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.9060
Aldo-keto reductase family 1 member B10 O60218 AK1BA_HUMAN Homo sapiens 3 0.8960
Aldo-keto reductase family 1 member B10 O60218 AK1BA_HUMAN Homo sapiens 3 0.8960
RNA polymerase sigma factor SigA Q5SKW1 Q5SKW1_THET8 Thermus thermophilus 3 0.8953
RNA polymerase sigma factor SigA Q5SKW1 Q5SKW1_THET8 Thermus thermophilus 3 0.8953
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8876
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8876
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.8860
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.8860
Enoyl-[acyl-carrier-protein] reductase [NADH] Q5NGQ3 Q5NGQ3_FRATT Francisella tularensis subsp. tularensis 3 0.8763
Enoyl-[acyl-carrier-protein] reductase [NADH] Q5NGQ3 Q5NGQ3_FRATT Francisella tularensis subsp. tularensis 3 0.8763
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8759
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.8759
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 4 0.8697
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 4 0.8697
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.8692
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.8692
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.8643
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.8643
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.8623
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.8623
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8618
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.8618
Multidrug-efflux transporter 1 regulator P39075 BMRR_BACSU Bacillus subtilis 3 0.8535
Multidrug-efflux transporter 1 regulator P39075 BMRR_BACSU Bacillus subtilis 3 0.8535
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.8532
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.8532
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.8516
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.8516
Carnitine O-palmitoyltransferase 2, mitochondrial P18886 CPT2_RAT Rattus norvegicus 3 0.8479
Carnitine O-palmitoyltransferase 2, mitochondrial P18886 CPT2_RAT Rattus norvegicus 3 0.8479
Gag-Pol polyprotein P04584 POL_HV2RO Human immunodeficiency virus type 2 subtype A 4 0.8455
Gag-Pol polyprotein P04584 POL_HV2RO Human immunodeficiency virus type 2 subtype A 4 0.8455
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8434
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8434
Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic P80030 FABI_BRANA Brassica napus 4 0.8433
Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic P80030 FABI_BRANA Brassica napus 4 0.8433
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8419
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.8419
Amine oxidase [flavin-containing] B P27338 AOFB_HUMAN Homo sapiens 3 0.8417
Amine oxidase [flavin-containing] B P27338 AOFB_HUMAN Homo sapiens 3 0.8417
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8390
Fibroblast growth factor receptor 1 P11362 FGFR1_HUMAN Homo sapiens 3 0.8390
histidine kinase O32393 O32393_ARTPT Arthrospira platensis 3 0.8243
histidine kinase O32393 O32393_ARTPT Arthrospira platensis 3 0.8243
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.8146
Aldo-keto reductase family 1 member B1 P15121 ALDR_HUMAN Homo sapiens 3 0.8146
HTH-type transcriptional regulator TtgR Q9AIU0 TTGR_PSEPT Pseudomonas putida 3 0.8139
HTH-type transcriptional regulator TtgR Q9AIU0 TTGR_PSEPT Pseudomonas putida 3 0.8139
Aldehyde dehydrogenase, dimeric NADP-preferring P30838 AL3A1_HUMAN Homo sapiens 3 0.8125
Aldehyde dehydrogenase, dimeric NADP-preferring P30838 AL3A1_HUMAN Homo sapiens 3 0.8125
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.8010
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.8010
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8007
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8007
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.8005
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.8005
Enoyl-acyl carrier protein reductase Q6TEI5 Q6TEI5_PLABE Plasmodium berghei 4 0.7948
Enoyl-acyl carrier protein reductase Q6TEI5 Q6TEI5_PLABE Plasmodium berghei 4 0.7948
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.7905
Methionine aminopeptidase 2 P50579 MAP2_HUMAN Homo sapiens 3 0.7905
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7901
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7901
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7893
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 2 0.7893
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7876
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 3 0.7876
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 3 0.7873
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 3 0.7873
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7859
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7859
Prostaglandin E synthase 2 Q9N0A4 PGES2_MACFA Macaca fascicularis 3 0.7839
Prostaglandin E synthase 2 Q9N0A4 PGES2_MACFA Macaca fascicularis 3 0.7839
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7820
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7820
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7808
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7808
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 3 0.7797
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 3 0.7797
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 5 0.7753
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 5 0.7753
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7748
Steroid Delta-isomerase P07445 SDIS_PSEPU Pseudomonas putida 2 0.7748
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 4 0.7707
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 4 0.7707
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 3 0.7695
Carbonic anhydrase 12 O43570 CAH12_HUMAN Homo sapiens 3 0.7695
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7690
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7690
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7674
Acetylcholinesterase P21836 ACES_MOUSE Mus musculus 2 0.7674
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7637
Aldo-keto reductase family 1 member C3 P42330 AK1C3_HUMAN Homo sapiens 3 0.7637
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.7623
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.7623
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 4 0.7610
Enoyl-ACP reductase Q9BH77 Q9BH77_PLAFA Plasmodium falciparum 4 0.7610
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.7591
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.7591
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 3 0.7576
Enoyl-[acyl-carrier-protein] reductase [NADH] P9WGR1 INHA_MYCTU Mycobacterium tuberculosis 3 0.7576
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7569
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7569
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7552
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7552
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7546
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7546
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7541
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7541
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7531
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7531
Orf1ab polyprotein Q6T1E9 Q6T1E9_CVHSA SARS coronavirus CUHK-L2 3 0.7525
Orf1ab polyprotein Q6T1E9 Q6T1E9_CVHSA SARS coronavirus CUHK-L2 3 0.7525
AGAP001556-PA Q7PXT9 Q7PXT9_ANOGA Anopheles gambiae 3 0.7521
AGAP001556-PA Q7PXT9 Q7PXT9_ANOGA Anopheles gambiae 3 0.7521
orotidine-5'-phosphate decarboxylase Q8T6J6 Q8T6J6_PLAFA Plasmodium falciparum 4 0.7505
orotidine-5'-phosphate decarboxylase Q8T6J6 Q8T6J6_PLAFA Plasmodium falciparum 4 0.7505
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7499
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7499
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7482
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7482
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7463
Beta-lactamase Q9L5C8 Q9L5C8_ECOLX Escherichia coli 3 0.7463
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7460
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7460
Nodulin-13 P93330 NOD13_MEDTR Medicago truncatula 3 0.7435
Nodulin-13 P93330 NOD13_MEDTR Medicago truncatula 3 0.7435
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7430
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7430
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.7428
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.7428
Activin receptor type-1 Q04771 ACVR1_HUMAN Homo sapiens 3 0.7404
Activin receptor type-1 Q04771 ACVR1_HUMAN Homo sapiens 3 0.7404
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.7395
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.7395
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7383
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.7383
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7381
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7381
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 3 0.7371
Proliferating cell nuclear antigen P12004 PCNA_HUMAN Homo sapiens 3 0.7371
Histone deacetylase 4 P56524 HDAC4_HUMAN Homo sapiens 2 0.7363
Histone deacetylase 4 P56524 HDAC4_HUMAN Homo sapiens 2 0.7363
Aldehyde dehydrogenase, mitochondrial P05091 ALDH2_HUMAN Homo sapiens 4 0.7354
Aldehyde dehydrogenase, mitochondrial P05091 ALDH2_HUMAN Homo sapiens 4 0.7354
Uridine phosphorylase Q5XA29 Q5XA29_STRP6 Streptococcus pyogenes serotype M6 3 0.7345
Uridine phosphorylase Q5XA29 Q5XA29_STRP6 Streptococcus pyogenes serotype M6 3 0.7345
IOMT 3 Q06YR3 Q06YR3_MEDTR Medicago truncatula 3 0.7320
IOMT 3 Q06YR3 Q06YR3_MEDTR Medicago truncatula 3 0.7320
Matrilysin P09237 MMP7_HUMAN Homo sapiens 3 0.7312
Matrilysin P09237 MMP7_HUMAN Homo sapiens 3 0.7312
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 Q9R1E6 ENPP2_MOUSE Mus musculus 3 0.7300
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 Q9R1E6 ENPP2_MOUSE Mus musculus 3 0.7300
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7299
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7299
Interstitial collagenase P03956 MMP1_HUMAN Homo sapiens 3 0.7297
Interstitial collagenase P03956 MMP1_HUMAN Homo sapiens 3 0.7297
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7292
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7292
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7291
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7291
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7289
Bromodomain-containing protein 4 O60885 BRD4_HUMAN Homo sapiens 3 0.7289
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 4 0.7284
Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 NQO2_HUMAN Homo sapiens 4 0.7284
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.7281
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.7281
Enoyl-ACP reductase Q9BJJ9 Q9BJJ9_PLAFA Plasmodium falciparum 3 0.7275
Enoyl-ACP reductase Q9BJJ9 Q9BJJ9_PLAFA Plasmodium falciparum 3 0.7275
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 4 0.7261
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 4 0.7261
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7259
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7259
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7230
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7230
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.7224
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.7224
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7216
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7216
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7203
Na(+):neurotransmitter symporter (Snf family) O67854 O67854_AQUAE Aquifex aeolicus 3 0.7203
Aldo-keto reductase family 1 member A1 P50578 AK1A1_PIG Sus scrofa 3 0.7195
Aldo-keto reductase family 1 member A1 P50578 AK1A1_PIG Sus scrofa 3 0.7195
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.7193
ActVA 6 protein Q53908 Q53908_STRCH Streptomyces coelicolor 3 0.7193
Metapyrocatechase Q7WYF5 Q7WYF5_9PSED Pseudomonas alkylphenolica 3 0.7184
Metapyrocatechase Q7WYF5 Q7WYF5_9PSED Pseudomonas alkylphenolica 3 0.7184
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7172
Cytosolic purine 5'-nucleotidase P49902 5NTC_HUMAN Homo sapiens 2 0.7172
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 3 0.7166
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 3 0.7166
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Q81LL4 MTNN_BACAN Bacillus anthracis 2 0.7147
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Q81LL4 MTNN_BACAN Bacillus anthracis 2 0.7147
Catechol O-methyltransferase P22734 COMT_RAT Rattus norvegicus 3 0.7147
Catechol O-methyltransferase P22734 COMT_RAT Rattus norvegicus 3 0.7147
Beta-lactamase Q79MP6 Q79MP6_PSEAI Pseudomonas aeruginosa 2 0.7146
Beta-lactamase Q79MP6 Q79MP6_PSEAI Pseudomonas aeruginosa 2 0.7146
Calmodulin P62157 CALM_BOVIN Bos taurus 3 0.7144
Calmodulin P62157 CALM_BOVIN Bos taurus 3 0.7144
WxcM-like protein Q12KT8 Q12KT8_SHEDO Shewanella denitrificans 3 0.7139
WxcM-like protein Q12KT8 Q12KT8_SHEDO Shewanella denitrificans 3 0.7139
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 2 0.7136
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 2 0.7136
FMN-dependent NAD(P)H:quinone oxidoreductase 1 Q9I5F3 AZOR1_PSEAE Pseudomonas aeruginosa 3 0.7128
FMN-dependent NAD(P)H:quinone oxidoreductase 1 Q9I5F3 AZOR1_PSEAE Pseudomonas aeruginosa 3 0.7128
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 3 0.7123
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 3 0.7123
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7122
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7122
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7111
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7111
Enoyl-acyl carrier reductase C6KSZ2 C6KSZ2_PLAF7 Plasmodium falciparum 4 0.7110
Enoyl-acyl carrier reductase C6KSZ2 C6KSZ2_PLAF7 Plasmodium falciparum 4 0.7110
Seminal ribonuclease P00669 RNS_BOVIN Bos taurus 3 0.7109
Seminal ribonuclease P00669 RNS_BOVIN Bos taurus 3 0.7109
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7089
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7089
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7074
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7074
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 2 0.7071
Tyrosine-protein kinase JAK2 O60674 JAK2_HUMAN Homo sapiens 2 0.7071
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7027
Albumin P02768 ALBU_HUMAN Homo sapiens 3 0.7027
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7026
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.7026
DNA gyrase subunit B Q839Z1 GYRB_ENTFA Enterococcus faecalis 2 0.7022
DNA gyrase subunit B Q839Z1 GYRB_ENTFA Enterococcus faecalis 2 0.7022
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 2 0.7018
Protoporphyrinogen oxidase P50336 PPOX_HUMAN Homo sapiens 2 0.7018
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7016
Sulfotransferase 1E1 P49888 ST1E1_HUMAN Homo sapiens 3 0.7016
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7014
Poly [ADP-ribose] polymerase tankyrase-2 Q9H2K2 TNKS2_HUMAN Homo sapiens 3 0.7014
Secoisolariciresinol dehydrogenase Q94KL8 SILD_PODPE Podophyllum peltatum 3 0.7013
Secoisolariciresinol dehydrogenase Q94KL8 SILD_PODPE Podophyllum peltatum 3 0.7013
Prostaglandin G/H synthase 2 Q05769 PGH2_MOUSE Mus musculus 3 0.7002
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.7002
Mitogen-activated protein kinase 10 P53779 MK10_HUMAN Homo sapiens 3 0.7002
Prostaglandin G/H synthase 2 Q05769 PGH2_MOUSE Mus musculus 3 0.7002

Download SDF