5-methoxy-4,4′-di-O-methylsecolariciresinol-9′-monoacetate - Compound Card

5-methoxy-4,4′-di-O-methylsecolariciresinol-9′-monoacetate

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5-methoxy-4,4′-di-O-methylsecolariciresinol-9′-monoacetate

Structure
Zoomed Structure
  • Family: Plantae - Acanthaceae
  • Kingdom: Plantae
  • Class: Lignan
Canonical Smiles OC[C@@H]([C@@H](Cc1ccc(c(c1)OC)OC)COC(=O)C)Cc1cc(OC)c(c(c1)OC)OC
InChI InChI=1S/C25H34O8/c1-16(27)33-15-20(9-17-7-8-21(28-2)22(11-17)29-3)19(14-26)10-18-12-23(30-4)25(32-6)24(13-18)31-5/h7-8,11-13,19-20,26H,9-10,14-15H2,1-6H3/t19-,20-/m0/s1
InChIKey WZYXBSWQEYOLAW-PMACEKPBSA-N
Formula C25H34O8
HBA 8
HBD 1
MW 462.54
Rotatable Bonds 13
TPSA 92.68
LogP 3.3
Number Rings 2
Number Aromatic Rings 2
Heavy Atom Count 33
Formal Charge 0
Fraction CSP3 0.48
Exact Mass 462.23
Number of Lipinski Rule Violations 0
# Species Family Kingdom NCBI Taxonomy ID
1 Eremomastax speciosa Acanthaceae Plantae 37794

Showing of synonyms

  • Eve MO, Alfred TN, et al. (2020). Chemical constituents of Erememostax speciosa (HOCHST.) cufod leaves and its cytotoxic potential on NIH-3T3 cells. Bulletin of the Chemical Society of Ethiopia,2020,34(3),634-640. [View]
Pubchem: 141516804

No compound-protein relationship available.

Structure

SMILES: c1ccccc1CCCCc2ccccc2

Level: 1

Mol. Weight: 462.54 g/mol

Structure

SMILES: c1ccccc1

Level: 0

Mol. Weight: 462.54 g/mol

No bioactivities available.

Absorption

Caco-2 (logPapp)
-4.71
Human Oral Bioavailability 20%
Bioavailable
Human Intestinal Absorption
Absorbed
Madin-Darby Canine Kidney
-4.77
Human Oral Bioavailability 50%
Bioavailable
P-Glycoprotein Inhibitor
Inhibitor
P-Glycoprotein Substrate
Non-Substrate
Skin Permeability
-2.63

Distribution

Blood-Brain Barrier (CNS)
-
Blood-Brain Barrier
Penetrable
Fraction Unbound (Human)
0.73
Plasma Protein Binding
64.08
Steady State Volume of Distribution
-

Metabolism

Breast Cancer Resistance Protein
Non-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
Substrate
CYP 3A4 Inhibitor
Inhibitor
CYP 3A4 Substrate
Substrate
OATP1B1
Non-Inhibitor
OATP1B3
Non-Inhibitor

Excretion

Clearance
9.03
Organic Cation Transporter 2
Non-Inhibitor
Half-Life of Drug
-

Toxicity

AMES Mutagenesis
Safe
Avian
Safe
Bee
Toxic
Bioconcentration Factor
1.24
Biodegradation
Safe
Carcinogenesis
Safe
Crustacean
Safe
Liver Injury I (DILI)
Safe
Eye Corrosion
Safe
Eye Irritation
Safe
Maximum Tolerated Dose
0.39
Liver Injury II
Safe
hERG Blockers
Toxic
Daphnia Maga
6.04
Micronucleos
Safe
NR-AhR
Safe
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
-88.55
Rat (Acute)
2.65
Rat (Chronic Oral)
2.49
Fathead Minnow
5.13
Respiratory Disease
Safe
Skin Sensitisation
Safe
SR-ARE
Safe
SR-ATAD5
Safe
SR-HSE
Safe
SR-MMP
Safe
SR-p53
Safe

General Properties

Boiling Point
463.38
Hydration Free Energy
-2.92
Log(D) at pH=7.4
3.23
Log(P)
2.62
Log S
-3.26
Log(Vapor Pressure)
-7.83
Melting Point
69.83
pKa Acid
10.16
pKa Basic
4.12
Protein Name UniProt ID Entry Name Species #Pharmacophore Points Probability (0.7 ≤ Tversky Score ≤ 1.0)
Norsolorinic acid synthase Q12053 AFLC_ASPPU Aspergillus parasiticus 3 0.9804
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.9490
NAD-capped RNA hydrolase NudC P32664 NUDC_ECOLI Escherichia coli 3 0.9477
Serine/threonine-protein kinase 24 Q9Y6E0 STK24_HUMAN Homo sapiens 3 0.9401
Pantothenate synthetase P9WIL5 PANC_MYCTU Mycobacterium tuberculosis 3 0.9361
Chitinase A Q9AMP1 Q9AMP1_VIBHA Vibrio harveyi 3 0.9232
Toxoflavin degrading enzyme E3SET7 E3SET7_PAEPO Paenibacillus polymyxa 3 0.9194
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.9163
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.9138
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.9042
Serine/threonine-protein kinase 10 O94804 STK10_HUMAN Homo sapiens 3 0.9005
Riboflavin synthase P0AFU8 RISA_ECOLI Escherichia coli 4 0.8997
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.8981
Photosynthetic reaction center cytochrome c subunit P07173 CYCR_BLAVI Blastochloris viridis 3 0.8947
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.8943
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase Q9TQS6 DHDH_MACFA Macaca fascicularis 3 0.8928
Glucan 1,3-beta-glucosidase P29717 EXG1_CANAL Candida albicans 3 0.8916
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 3 0.8884
cAMP-dependent protein kinase type I-alpha regulatory subunit P00514 KAP0_BOVIN Bos taurus 3 0.8828
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.8799
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.8758
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.8664
Liver carboxylesterase 1 P23141 EST1_HUMAN Homo sapiens 3 0.8635
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8539
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 3 0.8522
Heat shock protein HSP 90-alpha P07900 HS90A_HUMAN Homo sapiens 3 0.8476
Phospholipase A2, major isoenzyme P00592 PA21B_PIG Sus scrofa 3 0.8454
Nuclear receptor subfamily 4immunitygroup A member 1 P22736 NR4A1_HUMAN Homo sapiens 3 0.8404
Biflaviolin synthase CYP158A1 Q9KZF5 C1581_STRCO Streptomyces coelicolor / M145) 3 0.8398
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.8334
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.8331
cGMP-dependent protein kinase 1 Q13976 KGP1_HUMAN Homo sapiens 3 0.8330
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.8322
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 3 0.8305
Genome polyprotein P26663 POLG_HCVBK Hepatitis C virus genotype 1b 3 0.8302
Stromelysin-1 P08254 MMP3_HUMAN Homo sapiens 3 0.8267
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase Q05603 COBT_SALTY Salmonella typhimurium 3 0.8264
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.8252
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.8243
Mitogen-activated protein kinase 1 P28482 MK01_HUMAN Homo sapiens 3 0.8217
DNA gyrase subunit A P0AES5 GYRA_SHIFL Shigella flexneri 3 0.8113
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.8108
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 3 0.8103
Carnitine O-palmitoyltransferase 2, mitochondrial P18886 CPT2_RAT Rattus norvegicus 3 0.8100
Streptogramin A acetyltransferase P50870 VATD_ENTFC Enterococcus faecium 3 0.8088
cGMP-dependent protein kinase 2 Q13237 KGP2_HUMAN Homo sapiens 3 0.8083
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.8073
Interstitial collagenase P03956 MMP1_HUMAN Homo sapiens 4 0.8058
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.8054
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase Q8DNV6 Q8DNV6_STRR6 Streptococcus pneumoniae 3 0.8040
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.8034
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 4 0.7991
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7974
3',5'-cyclic-AMP phosphodiesterase 4D Q08499 PDE4D_HUMAN Homo sapiens 3 0.7948
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 4 0.7942
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7941
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7916
Nucleoside 2-deoxyribosyltransferase Q8RLY5 Q8RLY5_LACHE Lactobacillus helveticus 3 0.7909
HTH-type transcriptional regulator TtgR Q9AIU0 TTGR_PSEPT Pseudomonas putida 3 0.7894
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7893
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7892
Neocarzinostatin P0A3R9 NCZS_STRCZ Streptomyces carzinostaticus 3 0.7871
Annexin A5 P08758 ANXA5_HUMAN Homo sapiens 3 0.7848
Mycocyclosin synthase P9WPP7 CP121_MYCTU Mycobacterium tuberculosis 2 0.7845
cAMP-dependent protein kinase type I-alpha regulatory subunit P00514 KAP0_BOVIN Bos taurus 3 0.7829
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7819
cGMP-dependent 3',5'-cyclic phosphodiesterase O00408 PDE2A_HUMAN Homo sapiens 3 0.7797
Nickel-binding periplasmic protein P33590 NIKA_ECOLI Escherichia coli 2 0.7771
Histone deacetylase 8 Q9BY41 HDAC8_HUMAN Homo sapiens 3 0.7770
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 4 0.7760
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7750
Serine/threonine-protein kinase Chk1 O14757 CHK1_HUMAN Homo sapiens 3 0.7748
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7739
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7710
Trichothecene 15-O-acetyltransferase TRI3 Q9C1B7 TRI3_FUSSP Fusarium sporotrichioides 3 0.7700
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7698
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta P78356 PI42B_HUMAN Homo sapiens 3 0.7679
Mitogen-activated protein kinase 14 Q16539 MK14_HUMAN Homo sapiens 3 0.7674
Purine nucleoside phosphorylase DeoD-type P0ABP9 DEOD_ECO57 Escherichia coli O157:H7 3 0.7670
Orotidine 5'-phosphate decarboxylase Q5L0U0 PYRF_GEOKA Geobacillus kaustophilus 3 0.7663
Seminal ribonuclease P00669 RNS_BOVIN Bos taurus 3 0.7654
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7652
Thymidylate synthase Q4JQW2 TYSY_VZVO Varicella-zoster virus 3 0.7651
Dihydropteroate synthase Q81VW8 Q81VW8_BACAN Bacillus anthracis 3 0.7626
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 3 0.7616
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7592
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 4 0.7572
Peroxisome proliferator-activated receptor gamma P37231 PPARG_HUMAN Homo sapiens 4 0.7569
Ribosomal small subunit pseudouridine synthase A P0AA43 RSUA_ECOLI Escherichia coli 3 0.7560
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7552
Homoserine dehydrogenase P31116 DHOM_YEAST Saccharomyces cerevisiae 3 0.7552
FMN-dependent NAD(P)H:quinone oxidoreductase 1 Q9I5F3 AZOR1_PSEAE Pseudomonas aeruginosa 3 0.7551
Carbonic anhydrase 1 P00915 CAH1_HUMAN Homo sapiens 3 0.7551
cAMP-dependent protein kinase type II-beta regulatory subunit P12369 KAP3_RAT Rattus norvegicus 3 0.7524
Glycogen phosphorylase, muscle form P00489 PYGM_RABIT Oryctolagus cuniculus 3 0.7519
L-lactate dehydrogenase Q5SJA1 LDH_THET8 Thermus thermophilus 3 0.7513
Cyclin-dependent kinase 9 P50750 CDK9_HUMAN Homo sapiens 3 0.7512
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 3 0.7508
histidine kinase O32393 O32393_ARTPT Arthrospira platensis 3 0.7502
Gag-Pol polyprotein P05896 POL_SIVM1 Simian immunodeficiency virus 3 0.7498
Rhodopsin kinase GRK1 P28327 GRK1_BOVIN Bos taurus 3 0.7489
Beta-glucuronidase P05804 BGLR_ECOLI Escherichia coli 3 0.7477
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7477
cGMP-dependent protein kinase 1 P00516 KGP1_BOVIN Bos taurus 3 0.7476
Tetracycline repressor protein class D P0ACT4 TETR4_ECOLX Escherichia coli 4 0.7471
Ephrin type-B receptor 4 P54760 EPHB4_HUMAN Homo sapiens 3 0.7465
Glycogen phosphorylase, muscle form P00489 PYGM_RABIT Oryctolagus cuniculus 3 0.7465
Adenosine kinase Q9TVW2 ADK_TOXGO Toxoplasma gondii 3 0.7460
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7456
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 3 0.7439
Rifampin ADP-ribosyl transferase A0QRS5 A0QRS5_MYCS2 Mycolicibacterium smegmatis155) 3 0.7433
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 3 0.7433
cAMP-dependent protein kinase type II-beta regulatory subunit P12369 KAP3_RAT Rattus norvegicus 3 0.7428
Bifunctional protein GlmU P43889 GLMU_HAEIN Haemophilus influenzae 3 0.7425
Bifunctional epoxide hydrolase 2 P34913 HYES_HUMAN Homo sapiens 2 0.7420
tyrosine--tRNA ligase Q4QFJ7 Q4QFJ7_LEIMA Leishmania major 3 0.7413
Aurora kinase A O14965 AURKA_HUMAN Homo sapiens 3 0.7410
Prenyltransferase Q4R2T2 Q4R2T2_STRC1 Streptomyces sp 2 0.7407
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7401
Proto-oncogene tyrosine-protein kinase Src P00523 SRC_CHICK Gallus gallus 3 0.7398
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7385
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 2 0.7377
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7375
Serine/threonine-protein kinase SKY1 Q03656 SKY1_YEAST Saccharomyces cerevisiae 2 0.7367
Mitochondrial poly(A) polymerase F1NBW0 F1NBW0_CHICK Gallus gallus 2 0.7359
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 2 0.7351
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7350
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7348
Cytochrome P450 1A1 P04798 CP1A1_HUMAN Homo sapiens 3 0.7343
Purine nucleoside phosphorylase DeoD-type P0ABP9 DEOD_ECO57 Escherichia coli O157:H7 3 0.7339
Beta-secretase 2 Q9Y5Z0 BACE2_HUMAN Homo sapiens 3 0.7337
Capsid protein Q9WBP8 Q9WBP8_9VIRU Adeno-associated virus - 1 2 0.7334
Caspase-3 P42574 CASP3_HUMAN Homo sapiens 3 0.7333
Histone deacetylase 4 P56524 HDAC4_HUMAN Homo sapiens 2 0.7331
Glycogen synthase kinase-3 beta P49841 GSK3B_HUMAN Homo sapiens 2 0.7326
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7317
Peptidyl-prolyl cis-trans isomerase FKBP1A P62942 FKB1A_HUMAN Homo sapiens 3 0.7316
Acetolactate synthase, chloroplastic P17597 ILVB_ARATH Arabidopsis thaliana 3 0.7309
Nickel-binding periplasmic protein P33590 NIKA_ECOLI Escherichia coli 2 0.7299
Polyribonucleotide nucleotidyltransferase A7ZS61 PNP_ECO24 Escherichia coli O139:H28 3 0.7297
Purine nucleoside phosphorylase DeoD-type Q5EEL8 DEOD_BACCE Bacillus cereus 3 0.7294
Vascular endothelial growth factor receptor 2 P35968 VGFR2_HUMAN Homo sapiens 3 0.7293
Purine nucleoside phosphorylase DeoD-type O34925 DEOD_BACSU Bacillus subtilis 3 0.7291
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 2 0.7289
Polymerase acidic protein C3W5S0 C3W5S0_I09A0 Influenza A virus 2 0.7286
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7284
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 3 0.7283
Pancreatic alpha-amylase P04746 AMYP_HUMAN Homo sapiens 2 0.7279
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 2 0.7278
WxcM-like protein Q12KT8 Q12KT8_SHEDO Shewanella denitrificans 3 0.7276
Ephrin type-B receptor 2 P54763 EPHB2_MOUSE Mus musculus 2 0.7271
Phosphodiesterase Q8WQX9 Q8WQX9_9TRYP Trypanosoma brucei 3 0.7262
Formate--tetrahydrofolate ligase Q2RM91 FTHS_MOOTA Moorella thermoacetica 2 0.7262
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7257
Gag-Pol polyprotein P03367 POL_HV1BR Human immunodeficiency virus type 1 group M subtype B 3 0.7256
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7255
Epidermal growth factor receptor P00533 EGFR_HUMAN Homo sapiens 3 0.7253
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7243
NADPH-dependent oxidoreductase 2-alkenal reductase Q39172 AER_ARATH Arabidopsis thaliana 2 0.7234
Beta-galactoside-specific lectin 4 Q6ITZ3 ML4_VISAL Viscum album 2 0.7233
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 3 0.7232
Phosphoenolpyruvate carboxykinase [GTP] A5TYT6 PCKG_MYCTA Mycobacterium tuberculosis 3 0.7231
Phenylalanine-4-hydroxylase P00439 PH4H_HUMAN Homo sapiens 3 0.7228
FMN-dependent NAD(P)H:quinone oxidoreductase 1 Q9I5F3 AZOR1_PSEAE Pseudomonas aeruginosa 2 0.7226
3'-5' exoribonuclease Rv2179c P9WJ73 EXRBN_MYCTU Mycobacterium tuberculosis 2 0.7221
ADP compounds hydrolase NudE P45799 NUDE_ECOLI Escherichia coli 2 0.7215
Transcriptional regulator, PadR-like family A2RI36 A2RI36_LACLM Lactococcus lactis subsp. cremoris 2 0.7213
Prothrombin P00734 THRB_HUMAN Homo sapiens 2 0.7204
Basic phospholipase A2 VRV-PL-VIIIa P59071 PA2B8_DABRR Daboia russelii 2 0.7203
Urokinase-type plasminogen activator P00749 UROK_HUMAN Homo sapiens 3 0.7201
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7198
Geranyl diphosphate 2-C-methyltransferase D3KYU3 GPPMT_STRLS Streptomyces lasalocidi 3 0.7196
Death-associated protein kinase 1 P53355 DAPK1_HUMAN Homo sapiens 3 0.7186
Valacyclovir hydrolase Q86WA6 BPHL_HUMAN Homo sapiens 2 0.7184
Putative S-adenosyl-L-methionine-dependent methyltransferase ML2640 Q9CCZ4 Y2640_MYCLE Mycobacterium leprae 3 0.7179
Phosphoenolpyruvate carboxykinase [GTP] A5TYT6 PCKG_MYCTA Mycobacterium tuberculosis 3 0.7178
Thymidylate synthase P00469 TYSY_LACCA Lacticaseibacillus casei 2 0.7176
Gag-Pol polyprotein P03369 POL_HV1A2 Human immunodeficiency virus type 1 group M subtype B 3 0.7173
Prothrombin P00734 THRB_HUMAN Homo sapiens 3 0.7172
Aminopeptidase N P04825 AMPN_ECOLI Escherichia coli 3 0.7170
Alpha-ketoglutarate-dependent dioxygenase FTO Q9C0B1 FTO_HUMAN Homo sapiens 2 0.7168
Nitric oxide synthase, inducible P29477 NOS2_MOUSE Mus musculus 2 0.7165
Pantothenate kinase P9WPA7 COAA_MYCTU Mycobacterium tuberculosis 3 0.7161
Plasma membrane ATPase Q42932 Q42932_NICPL Nicotiana plumbaginifolia 2 0.7157
Catechol O-methyltransferase P22734 COMT_RAT Rattus norvegicus 3 0.7156
Catabolite activator protein C3SQJ7 C3SQJ7_ECOLX Escherichia coli 3 0.7153
Ribosome-inactivating protein 3 P25891 RIP3_MAIZE Zea mays 2 0.7152
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase P19992 HSD_STREX Streptomyces exfoliatus 2 0.7141
DNA-directed DNA polymerase Q38087 DPOL_BPR69 Escherichia phage RB69 2 0.7141
Uracil-DNA glycosylase P20536 UNG_VACCC Vaccinia virus 3 0.7139
Uridine phosphorylase Q5XA29 Q5XA29_STRP6 Streptococcus pyogenes serotype M6 3 0.7136
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform P48736 PK3CG_HUMAN Homo sapiens 3 0.7136
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7135
Galactoside O-acetyltransferase P07464 THGA_ECOLI Escherichia coli 3 0.7134
L-methionine gamma-lyase Q84AR1 Q84AR1_CITFR Citrobacter freundii 3 0.7128
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7125
Lethal factor P15917 LEF_BACAN Bacillus anthracis 3 0.7125
LIM domain kinase 1 P53667 LIMK1_HUMAN Homo sapiens 2 0.7122
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Q9Y233 PDE10_HUMAN Homo sapiens 3 0.7121
HTH-type transcriptional repressor PurR P0ACP7 PURR_ECOLI Escherichia coli 3 0.7120
Tryptase alpha/beta-1 Q15661 TRYB1_HUMAN Homo sapiens 3 0.7117
DNA topoisomerase 1 P06612 TOP1_ECOLI Escherichia coli 4 0.7117
Hypoxanthine phosphoribosyltransferase Q4DRC4 Q4DRC4_TRYCC Trypanosoma cruzi 2 0.7114
Phosphoenolpyruvate carboxykinase [GTP] P9WIH3 PCKG_MYCTU Mycobacterium tuberculosis 3 0.7113
Metallo-beta-lactamase type 2 C7C422 BLAN1_KLEPN Klebsiella pneumoniae 2 0.7112
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 3 0.7111
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7111
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7110
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7103
ALK tyrosine kinase receptor Q9UM73 ALK_HUMAN Homo sapiens 3 0.7102
N-terminal acetyltransferase A complex subunit NAT1 P12945 NAT1_YEAST Saccharomyces cerevisiae 2 0.7102
Gag-Pol polyprotein P12497 POL_HV1N5 Human immunodeficiency virus type 1 group M subtype B 2 0.7101
Large structural protein Q91L20 Q91L20_9MONO Human metapneumovirus 3 0.7093
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7092
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7092
tRNA-guanine(15) transglycosylase O58843 ATGT_PYRHO Pyrococcus horikoshii 3 0.7088
Fibroblast growth factor receptor 2 P21802 FGFR2_HUMAN Homo sapiens 2 0.7087
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase P0AF12 MTNN_ECOLI Escherichia coli 2 0.7086
Amino-acid acetyltransferase Q5FAK7 Q5FAK7_NEIG1 Neisseria gonorrhoeae 2 0.7084
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 2 0.7083
Cyclin-dependent kinase 2 P24941 CDK2_HUMAN Homo sapiens 3 0.7079
Abscisic acid receptor PYL9 Q84MC7 PYL9_ARATH Arabidopsis thaliana 2 0.7075
Queuine tRNA-ribosyltransferase P28720 TGT_ZYMMO Zymomonas mobilis subsp. mobilis 3 0.7069
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7061
Endothiapepsin P11838 CARP_CRYPA Cryphonectria parasitica 3 0.7060
Lethal factor P15917 LEF_BACAN Bacillus anthracis 3 0.7057
Carbonic anhydrase 2 P00918 CAH2_HUMAN Homo sapiens 3 0.7048
Tubulin alpha-1B chain P81947 TBA1B_BOVIN Bos taurus 2 0.7048
N-acetyltransferase domain-containing protein Q9HV14 Q9HV14_PSEAE Pseudomonas aeruginosa 2 0.7041
11-beta-hydroxysteroid dehydrogenase 1 P28845 DHI1_HUMAN Homo sapiens 3 0.7034
APH(2'')-Id O68183 O68183_ENTCA Enterococcus casseliflavus 3 0.7034
Purine nucleoside phosphorylase Q8I3X4 Q8I3X4_PLAF7 Plasmodium falciparum 3 0.7033
Beta-secretase 1 P56817 BACE1_HUMAN Homo sapiens 3 0.7028
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Q81LL4 MTNN_BACAN Bacillus anthracis 2 0.7028
Nucleoside 2-deoxyribosyltransferase Q8RLY5 Q8RLY5_LACHE Lactobacillus helveticus 2 0.7023
Lactose operon repressor P03023 LACI_ECOLI Escherichia coli 3 0.7022
cAMP-dependent protein kinase type I-alpha regulatory subunit P00514 KAP0_BOVIN Bos taurus 3 0.7020
Orotidine 5'-phosphate decarboxylase O26232 PYRF_METTH Methanothermobacter thermautotrophicus 3 0.7017
Mitogen-activated protein kinase 8 P45983 MK08_HUMAN Homo sapiens 3 0.7012
Nucleoside diphosphate kinase Q5UQL3 NDK_MIMIV Acanthamoeba polyphaga mimivirus 2 0.7012
Single-strand selective monofunctional uracil DNA glycosylase Q9YGN6 SMUG1_XENLA Xenopus laevis 3 0.7003
Cytochrome P450 3A4 P08684 CP3A4_HUMAN Homo sapiens 3 0.7002
Purine nucleoside phosphorylase P00491 PNPH_HUMAN Homo sapiens 2 0.7002

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