CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFID4138
Family Name Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenedioxybenzophenone Family
No. of Seeds 4 No. of Other Members 26
Family Centroid CFAMM00303060 Functional Category Investigative Drug with Natural Product
Superfamily Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenedioxybenzophenone Superfamily
Class Class 3013

Cousin Family NamesSeedsMembers
Prostaglandin G/H synthase 2 Inhibitor Diflunisal Family 7 421
Cyclooxygenase Inhibitor Fenoprofen Family 4 1077
Cyclooxygenase inhibitor salicylate derivative Aspirin family 3 234
Vitamin K epoxide reductase complex subunit 1 Inhibitor Warfar... 9 508
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor Mycophenola... 4 353
Heat shock protein 90, putative Inhibitor Cromoglicate Family 14 2827
DNA Binder Methoxsalen Family 10 1638
Muscarinic acetylcholine receptor Ligand Flavoxate Family 9 350
Vitamin K-dependent gamma-carboxylase Inhibitor Anisindione Fa... 3 243
D-alanyl-D-alanine carboxypeptidase Inhibitor B-lactams Family 59 1364
Aldehyde oxidase Inhibitor Isovanillin Family 6 429
Hidrosmin family 14 61
Ipriflavone family 62 2480
Rotenone family 16 107
Danthron family 11 141
taste receptor Ligand Cynarin Family 6 124
Agrimophol family 10 22
Chromomycin A3 family 7 14
Cyclin-dependent kinase 2 Inhibitor Flavopiridol Family 4 124
Leukotriene B4 receptor 1 Ligand LY293111 Family 24 79
Sphingosine kinase 2 Inhibitor Phenoxodiol Family 24 682
NAD-dependent protein deacetylase sirtuin-1 Inhibitor SRT501 F... 19 88
Steryl-sulfatase Inhibitor Stx 64 Family 7 160
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 9 123
Multidrug resistance protein Inhibitor Curcumin I Family 19 278
Oxi4503 family 4 27
Interleukin-1 beta Inhibitor Diacerein Family 3 77
Integrase Inhibitor L-708,906 Family 1 8
Endothelin-1 receptor Ligand PD156707 Family 41 211
Estrogen receptor beta Ligand 2-(4-hydroxy-phenyl)benzofuran-5... 5 82
Phospholipase A2 Inhibitor P-anisic Acid Family 2 178
Arachidonate 15-lipoxygenase Inhibitor Isoscopoletin Family 5 98
Platelet-activating factor receptor Ligand L-652731 Family 5 116
Steryl-sulfatase Inhibitor Sulfamic Acid 4-(3-methoxy-benzoyl)... 5 24
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 2,5-... 2 96
Acetylcholinesterase Inhibitor Territrem B Family 3 21
Endothelin B receptor and Endothelin-1 receptor Ligand PD-1631... 9 13
Protein kinase C alpha type and Protein kinase C beta type Inh... 7 1
Leukotriene B4 receptor 1 Ligand SC-51146 Family 6 315
Steryl-sulfatase Inhibitor Sulfamic Acid 2-nonyl-4-oxo-4h-chro... 4 68
Epidermal growth factor receptor Ligand AG-538 Family 5 11
Aromatase and DNA-dependent protein kinase catalytic subunit I... 6 19
DNA-dependent protein kinase catalytic subunit Inhibitor 7-pro... 5 49
Oestrogen receptor and Estrogen receptor beta Ligand 7-chloro-... 2 27
Estrogen receptor beta Ligand 3,6-dihydroxy-2-(4-hydroxy-pheny... 2 23
Acetylcholinesterase and Cholinesterase Inhibitor 3-[7-(benzyl... 22 303
Phospholipase A2 Inhibitor 3,9-dihydroxy-2,10-diprenylpterocap... 9 25
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 9 81
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 127
Oestrogen receptor and Estrogen receptor beta Ligand 3,8-dihyd... 20 57
Carbonic anhydrase 1 and Carbonic anhydrase 2 Inhibitor Ellagi... 1 11
Tubulin beta chain Inhibitor Combretastatin Family 3 5
Fatty acid-binding protein, adipocyte and Fatty acid-binding p... 4 102
Tyrosine-protein phosphatase non-receptor type 1 Ligand Phelli... 1 1
L-selectin and P-selectin Inhibitor 2,3,4-trihydroxybenzoic Ac... 2 10
Platelet-derived growth factor receptor beta Ligand Bis(5-meth... 5 220
Tyrosine-protein phosphatase non-receptor type 1 Ligand Licoag... 9 32
Sodium/glucose cotransporter 2 Inhibitor Maackiain Family 1 5
Carbonic anhydrase 9 and Carbonic anhydrase 12 Inhibitor Ethox... 12 80
Cytosolic phospholipase A2 Inhibitor [6,3''']biflavone Family 5 5
Kappa-type opioid receptor Ligand Anisocoumarin H Family 3 5
Protein kinase C alpha type and Protein kinase C beta type Inh... 2 1
MO15-related protein kinase Pfmrk Inhibitor WR-289012 Family 2 17
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand 3-ben... 4 74
Cannabinoid receptor 2 Ligand 2-(2-methoxybenzyl)-3h-benzo[f]c... 6 32
Squalene monooxygenase Inhibitor Octyl_gallate Family 5 5
Beta-2 adrenergic receptor Ligand Gnf-pf-1694 Family 4 70
Protein kinase C gamma type and Protein kinase C alpha type In... 2 1
Indoleamine 2,3-dioxygenase 1 Inhibitor 2-hydroxygarvin A Family 2 2
Cytochrome P450 3A4 Inhibitor Hinokinin Family 2 10
Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family 4 28
Amine oxidase [flavin-containing] B Inhibitor (s)(+)-7-fluoro-... 11 11
NAD(P)H dehydrogenase [quinone] 1 Inhibitor Ethyl Bis(4-hydrox... 5 7
Tyrosine-protein phosphatase non-receptor type 1 Ligand Kuwano... 3 3
Amine oxidase [flavin-containing] B Inhibitor 3-(4-methoxyphen... 3 29
Aromatase Inhibitor 3,4-bis(3,4-dimethoxyphenyl)furan-2(5h)-on... 4 86
Amine oxidase [flavin-containing] B Inhibitor 4-oxo-4h-chromen... 2 3
Cytochrome P450 3A4 Inhibitor Diethoxyflourescein Family 3 9
Voltage-dependent N-type calcium channel subunit alpha-1B Liga... 1 6
Heat shock cognate 71 kDa protein Inhibitor NSC-119913 Family 2 1
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 2-(3-c... 5 72
Epidermal growth factor receptor Ligand 3-(3-chloro-phenyl)-5,... 10 64
Protein farnesyltransferase subunit beta Inhibitor Cylindrol A... 3 43
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 3 0
Prostaglandin G/H synthase 2 Inhibitor 3,4-dibenzyloxy-2'-hydr... 7 40
Androgen receptor Ligand Palodesangren E Family 12 43
CGMP-dependent protein kinase Inhibitor Tenellone A Family 1 7
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 3 27
Prostaglandin G/H synthase 2 Inhibitor Neolignan 9-nor-7,8-deh... 1 7
72 kDa type IV collagenase Inhibitor Lithospermic Acid Family 1 0
Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ... 4 10
Tyrosyl-DNA phosphodiesterase 1 and Microtubule-associated pro... 1 1
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 7
ELAV-like protein 1 and Myosin light chain kinase, smooth musc... 1 32
Acetylcholinesterase inhibitor AGN-PC-003A5N family 3 9
Endothelin-1 receptor ligand (2S)-2-(1,3-benzodioxol-5-yl)-4-m... 17 0
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 2 7
Estrogen receptor beta and Estrogen receptor ligand SureCN4017... 3 5
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 7 13
Histone deacetylase 2 and Histone deacetylase 8 inhibitor AC1L... 2 2
Protein kinase C beta type and Protein kinase C eta type inhib... 1 0
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 5 5
Acetylcholinesterase inhibitor 5,7-Dimethoxy-2-methyl-indan-1-... 1 0
Sodium-dependent serotonin transporter and Sodium-dependent do... 3 78
Calmodulin inhibitor CHEMBL2408940 family 1 0
Neuropeptide Y receptor type 5 and Thioredoxin glutathione red... 13 6
Multidrug resistance protein 1 inhibitor CHEMBL1 family 2 0
Estradiol 17-beta-dehydrogenase 1 inhibitor SureCN4589665 family 2 4
Putative fructose-1,6-bisphosphate aldolase and Retinal dehydr... 1 0
Epidermal growth factor receptor and Receptor tyrosine-protein... 1 3
Survival motor neuron protein and Prelamin-A/C inhibitor CHEMB... 2 32
Cytochrome P450 3A4 inhibitor 4-[(2E)-6-[(E)-3-hydroxy-2,6-dim... 3 2
Cholesteryl ester transfer protein inhibitor [8-[(1S)-1-hydrox... 4 10
Reverse transcriptase/RNaseH inhibitor AC1O5CPP family 1 5
Sodium/glucose cotransporter 2 inhibitor (2S,3R,4R,5S,6R)-2-[3... 1 4
Cathepsin D inhibitor (E)-N-butyl-4-[1-(3,4,5-trimethoxybenzoy... 1 3
Glutamate carboxypeptidase 2 inhibitor 2-phenylmethoxy-6-(2-su... 2 3
Carbonic anhydrase 9 and Carbonic anhydrase 12 inhibitor 5,10-... 1 0
Prothrombin inhibitor sodium;[3-ethoxycarbonyl-2-[[3-ethoxycar... 1 6
Catechol O-methyltransferase inhibitor 4,5-dihydroxybenzene-1,... 1 1
Cannabinoid receptor 1 and Cytochrome P450 3A4 ligand LY320135... 1 0
Cholesteryl ester transfer protein inhibitor [8-[(1S)-1-hydrox... 1 0
Acetylcholinesterase and Butyrylcholinesterase inhibitor (2Z)-... 2 10
Potassium voltage-gated channel subfamily A member 3 ligand (E... 2 2
3-phosphoshikimate 1-carboxyvinyltransferase inhibitor 2-[5-ca... 1 0
Sugar Acids and Derivatives Metabolite 3-Methoxy-4-hydroxyphen... 1 6
Benzopyrans Metabolite Erosnin Family 1 0
Prenol Lipids Metabolite Scutigeral Family 1 0
Benzopyrans Metabolite (-)-trans-3,4-Dihydro-4,8-dihydroxy-3-m... 1 0
Prenol Lipids Metabolite 13-Hydroxydihydromelleolide Family 3 0
Phenylacetic Acid Derivatives Metabolite Guaicyl phenylacetate... 1 3
Benzofurans Metabolite (R)-Bitalin A Family 1 9
Prenol Lipids Metabolite Rosmadial Family 1 0
Acenes Metabolite Musanolone D Family 2 1
5-chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochr... 4 0
Putative NP ZINC02398203 Family 1 0
NP (z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofura... 9 0
NP (z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-... 16 0
1,3-dimethylcyclohepta[c]furan-8-one NP 6-(4-hydroxy-3-iodo-5-... 13 1
NP Ethyl 3-(4-bromophenyl)-7-((methylsulfonyl)oxy)-4-oxo-4h-ch... 9 1
NP 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-oxo-4h-ch... 33 4
NP 2-((3-(3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-4... 10 0
2-amino-3-methylpentanoate NP 2-((3-(4-fluorophenoxy)-4-oxo-4h... 13 2
Putative NP ZINC04025923 Family 6 0
NP 4-(((3-(4-chlorophenyl)-2-methyl-4-oxo-4h-chromen-7-yl)oxy)... 14 0
NP 3-(4-methoxyphenoxy)-4-oxo-4h-chromen-7-yl 4-bromobenzoate ... 13 0
NP (z)-6-((4-bromobenzyl)oxy)-2-(3,4-dimethoxybenzylidene)benz... 13 2
NP (z)-2-((2-methyl-2h-chromen-3-yl)methylene)-3-oxo-2,3-dihyd... 74 1
1-benzofuran-3-one NP (z)-2-(4-chlorobenzylidene)-3-oxo-2,3-di... 27 0
NP 2-((3-(3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)-2-methyl-... 2 0
NP 4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2h-benzo[g]chromene-... 2 1
benzenesulfonate NP (z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-... 26 0
4-oxochromene-2-carboxylate NP Ethyl 3-(7-(2-(4-bromophenyl)-2... 10 1
NP Ethyl 7-((2-chlorobenzoyl)oxy)-3-(2-methoxyphenyl)-4-oxo-4h... 37 1
orobenzoate NP 3-(2-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7... 22 0
NP 4-(3,4-dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)but... 2 3
Putative NP ZINC09486076 Family 56 0
bromobenzoate NP ZINC09346025 Family 20 0
1-benzofuran-3-one NP ZINC02367988 Family 9 0
benzenesulfonate NP ZINC09051160 Family 47 2
Putative NP ZINC02424323 Family 24 0
NP Af-399/42316321 Family 7 0
2-(trifluoromethyl)chromen-4-one NP ZINC01929476 Family 25 0
1-benzofuran-3-one NP ZINC02424004 Family 22 0
Putative NP ZINC02424496 Family 5 0
Putative NP ZINC09051797 Family 10 0
Putative NP ZINC05219435 Family 4 0
Putative NP ZINC09306352 Family 7 0
ethyl 4-[2-(hydroxyamino)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien... 1 0
Putative NP ZINC09575270 Family 7 0
Putative NP ZINC01135787 Family 3 0
Putative NP ZINC09517236 Family 5 0
bromobenzoate NP ZINC11865066 Family 6 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00303032 CHEMBL73930 Bioactive Tangeretin
CFAMM00303061 CHEMBL129523 Bioactive NSC710264
CFAMM00303040 CHEMBL1290347 Bioactive KBio2_006097
CFAMM00303060 DNC014843 Investigative Drug 2-methoxy-3,4-methylenedioxybenzophenone

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

27284 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543