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 CFFBM14453
Family Name Stromelysin-1 and 72 kDa type IV collagenase inhibitor (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid family
No. of Seeds 2 No. of Other Members 2
Family Centroid CFAMM00428592 Functional Category Bioactive
Superfamily Cathepsin K and Cathepsin S Binder Superfamily
Class Class 1127

Cousin Family NamesSeedsMembers
HIV protease Inhibitor Indinavir Family 36 211
HIV protease Inhibitor Saquinavir Family 64 428
Gastrin/cholecystokinin type B receptor ligand peptide Pentaga... 26 1171
Muscarinic acetylcholine receptor M4 Ligand Tropicamide Family 3 73
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
Thromboxane A2 receptor Ligand Ridogrel Family 7 83
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
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
Prothrombin Inhibitor Ximelegatran Family 8 157
Thromboxane A2 receptor Ligand Bibv 308 Family 14 40
Substance-P receptor Ligand GSK424887 Family 8 184
Coagulation factor X Inhibitor Otamixaban Family 9 21
CP-18770 family 6 27
Cholecystokinin receptor type A Ligand A-71378 Family 77 23
Gastrin/cholecystokinin type B receptor Ligand PD136450 Family 53 117
Lethal factor Inhibitor GM6001 Family 50 435
FK506-binding protein 1A Inhibitor Gpi-1046 Family 4 10
Substance-K receptor and Substance-P receptor Ligand L-732138 ... 8 147
Thromboxane-A synthase Inhibitor CGS-22652 Family 37 95
Integrin beta-3 Inhibitor Elarofiban Family 28 45
Cholecystokinin receptor type A Ligand VL-0395 Family 12 117
D(4) dopamine receptor Ligand ABT-670 Family 4 14
Delta-type opioid receptor Ligand H-poa-ser-gly-phe-leu-thr-oh... 5 12
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Angiotensin-converting enzyme and Endothelin-converting enzyme... 2 10
Endothelin B receptor Ligand IRL-2500 Family 34 87
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Integrin beta-3 and Integrin alpha-V inhibitor AGN-PC-03RR5Q f... 3 2
Renin inhibitor (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[... 3 0
Pol polyprotein inhibitor AC1LAD48 family 19 5
Endothelin-converting enzyme 1 inhibitor 2-[[1-[[(2S)-4-methyl... 2 8
Pol polyprotein inhibitor pyridin-2-ylmethyl N-[(2R)-1-[[(2S,3... 15 8
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 17 14
Integrin alpha-V and Integrin beta-5 inhibitor SureCN6563167 f... 2 10
Cholecystokinin receptor type A ligand A-65186 family 2 6
Caspase-1 inhibitor (3S)-3-[[(2S)-4-[2-(1,2-dimethylindol-3-yl... 3 4
Caspase-1 inhibitor (3S)-4-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-... 3 0
Thromboxane-A synthase and Thromboxane A2 receptor ligand (E)-... 2 1
Disintegrin and metalloproteinase domain-containing protein 17... 4 0
Disintegrin and metalloproteinase domain-containing protein 17... 3 3
Peptide deformylase inhibitor (2R)-N-[(2S)-3,3-dimethyl-1-oxo-... 2 1
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
Renin inhibitor (3R)-4-[[(2S,5S)-1-cyclohexyl-3-hydroxy-6-meth... 3 4
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 20 2
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3S)-1-cyclohexyl-3-h... 1 0
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 2 4
Renin inhibitor (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-d... 3 0
Integrin beta-3 and Integrin alpha-IIb inhibitor SureCN7013744... 2 3
Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-2-(butyl... 2 4
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 4
Renin inhibitor tert-butyl N-[1-[[1-[[1-cyclohexyl-4,4-difluor... 5 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 4 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(1-benz... 2 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 2 3
Interstitial collagenase and Stromelysin-1 inhibitor CHEMBL887... 1 0
Cytochrome P450 2C19 inhibitor AGN-PC-07CPMJ family 1 0
Probable G-protein coupled receptor 142 ligand (2S)-2-[[(2R)-o... 1 0
Thromboxane A2 receptor ligand SureCN8058805 family 2 1
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-3-[[2-[3... 4 0
Disintegrin and metalloproteinase domain-containing protein 17... 1 0
heptanamide NP ZINC08740384 Family 7 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00428592 CHEMBL267533 Bioactive (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid

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
 

 

23971 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