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 CFFBM2533
Family Name Renin inhibitor [(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl] 1-benzylindole-3-carboxylate family
No. of Seeds 3 No. of Other Members 1
Family Centroid CFAMM00335141 Functional Category Bioactive with Natural Product
Superfamily Renin and Caspase-1 Binder Superfamily
Class Class 247

Cousin Family NamesSeedsMembers
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 14 2769
HIV protease Inhibitor Indinavir Family 36 211
HIV protease Inhibitor Saquinavir Family 64 428
Gastrin/cholecystokinin type B receptor ligand peptide Pentaga... 26 1171
5-hydroxytryptamine receptor 3A Ligand Dolasetron Family 12 171
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
HIV-1 protease Inhibitor Atazanavir Family 16 58
Indoleamine 2,3-dioxygenase 1 Inhibitor L-tryptophan Family 8 328
Bacterial outer membrane Inhibitor Daptomycin Family 6 50
Glycogen synthase kinase-3 beta and Protein kinase C beta type... 5 53
Substance-P receptor Ligand GSK424887 Family 8 184
Poly [ADP-ribose] polymerase 1 Inhibitor AG-14699 Family 13 179
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Coagulation factor X Inhibitor Otamixaban Family 9 21
D(3) dopamine receptor Ligand SB-277011 Family 13 178
CP-18770 family 6 27
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
Lethal factor Inhibitor GM6001 Family 50 435
Cannabinoid receptor 2 Ligand JWH-167 Family 25 168
Substance-K receptor and Substance-P receptor Ligand L-732138 ... 8 147
Cathepsin B and Cathepsin K Inhibitor Z-arg-leu-val-agly-ile-v... 3 19
Cannabinoid receptor 2 Ligand JWH-204 Family 6 10
Cannabinoid receptor 2 Ligand JWH-249 Family 7 13
Poly [ADP-ribose] polymerase 1 Inhibitor 1,7,8,9-tetrahydro-1,... 19 64
Cholecystokinin receptor type A Ligand VL-0395 Family 12 117
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-methyl-1h... 24 50
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-3... 37 1
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-2... 8 1
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Angiotensin-converting enzyme and Endothelin-converting enzyme... 2 10
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 24 64
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 3 29
Glutamate receptor 1 Ligand Piriqualone Family 8 67
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 3 27
Endothelin B receptor Ligand IRL-2500 Family 34 87
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 12 72
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
5-hydroxytryptamine receptor 3A Ligand 3alpha-(1'-methyl-2'-in... 2 17
Acetylcholinesterase and Cholinesterase Inhibitor 3-(2-diethyl... 12 160
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 3 5
Prostaglandin E2 receptor EP4 subtype and Prostaglandin D2 rec... 8 17
Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f ... 3 18
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 10 4
Cholecystokinin receptor type A ligand A-65186 family 2 6
Pol polyprotein inhibitor N-[(2S)-1-[[(2S,3R,4S,5S)-3,4-dihydr... 2 0
Neutrophil collagenase and Stromelysin-3 inhibitor AC1MORIH fa... 7 9
Sodium-dependent serotonin transporter and D(2) dopamine recep... 13 2
Pol polyprotein inhibitor Carbamic acid, ((2-hydroxy-1,4-bis(p... 21 1
Substance-P receptor ligand N-[(1S,2R)-2-[[(1R)-1-[methyl-(2-p... 2 0
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 2
MAP kinase-activated protein kinase 2 and Mitogen-activated pr... 5 2
Histamine H3 receptor ligand AGN-PC-04YWRD family 5 13
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 5 2
Survival motor neuron protein and Nonstructural protein 1 inhi... 1 18
Disintegrin and metalloproteinase domain-containing protein 17... 4 0
Prelamin-A/C and Microtubule-associated protein tau inhibitor ... 1 16
C-C chemokine receptor type 1 ligand N-[(2S,3S,5R)-5-carbamoyl... 10 4
Pol polyprotein inhibitor (2S,4S,5S)-5-acetamido-6-cyclohexyl-... 3 3
Interstitial collagenase and Matrilysin inhibitor (2S,3R)-N,2-... 3 1
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 18 3
Renin and Potassium voltage-gated channel subfamily H member 2... 9 2
Poly [ADP-ribose] polymerase 1 inhibitor CHEMBL186461 family 2 4
Neuropeptide Y receptor type 5 ligand 2-indol-1-yl-N-[4-[(prop... 7 6
Orexin receptor type 1 and Orexin receptor type 2 ligand N-[[(... 1 0
Disintegrin and metalloproteinase domain-containing protein 17... 7 9
Tankyrase-1 inhibitor N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1... 3 2
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand SureC... 1 3
Substance-P receptor ligand (4R)-N-[(2R)-1-[benzyl(methyl)amin... 8 5
Platelet-activating factor receptor ligand (1-ethylindol-3-yl)... 17 13
Cyclin-dependent kinase 2 and Vascular endothelial growth fact... 1 1
Platelet-activating factor receptor ligand N,N-diethyl-3-[(4R)... 11 0
Platelet-activating factor receptor ligand (4R)-N-(3-benzoylph... 2 1
Substance-P receptor and Substance-K receptor ligand N-methyl-... 2 2
72 kDa type IV collagenase and Interstitial collagenase inhibi... 1 1
Heat shock protein HSP 90-alpha inhibitor CHEMBL1760611 family 19 25
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 2 0
C-C chemokine receptor type 1 ligand 5-bromo-N-[(2S,3S,5R)-3-h... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00335143 CHEMBL1276429 Bioactive N-[(2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-1-ethylindole-3-carboxamide
CFAMM00335142 CHEMBL1783188 Bioactive [4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl] 1-benzylindole-3-carboxylate
CFAMM00335141 CHEMBL1276530 Bioactive [(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl] 1-benzylindole-3-carboxylate

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
 

 

24337 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