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 CFFBM14370
Family Name Renin inhibitor tert-butyl N-[1-[[1-[[1-cyclohexyl-4,4-difluoro-5-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3,5-dioxopentan-2-yl]amino]-3-(2H-imidazol-2-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
No. of Seeds 5 No. of Other Members 0
Family Centroid CFAMM00428023 Functional Category Bioactive
Superfamily Renin and Prothrombin Binder Superfamily
Class Class 639

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
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
HIV-1 protease Inhibitor Atazanavir Family 16 58
Renin Inhibitor Remikiren Family 100 126
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
Substance-P receptor Ligand GSK424887 Family 8 184
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
Growth hormone receptor Ligand EP-51216 Family 34 390
CBP-501 family 7 8
CP-18770 family 6 27
Gastrin/cholecystokinin type B receptor Ligand PD136450 Family 53 117
Lethal factor Inhibitor GM6001 Family 50 435
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Somatostatin receptor type 2 Ligand L-054852 Family 13 88
Carbonic anhydrase 2 Inhibitor N-[2-(1h-indol-5-yl)-butyl]-4-s... 12 70
Renin Inhibitor (h-261)boc-his-pro-phe-his-leu(oh)-val-ile-his... 33 41
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
Renin Inhibitor Sul-pro-phe-n-mehis-lva-ile-amp Family 47 54
Alpha-1A adrenergic receptor Ligand L-771688 Family 8 14
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[n... 12 10
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Ac-... 38 60
Delta-type opioid receptor Ligand H-poa-ser-gly-phe-leu-thr-oh... 5 12
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
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
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 12 72
Histone deacetylase Inhibitor ST-5732 Family 8 6
Bombesin receptor subtype-3 and Gastrin-releasing peptide rece... 42 7
Renin inhibitor (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[... 3 0
Pol polyprotein inhibitor AC1LAD48 family 19 5
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 3 5
Pol polyprotein inhibitor pyridin-2-ylmethyl N-[(2R)-1-[[(2S,3... 15 8
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 6 2
Plasmepsin-1 and Plasmepsin-2 inhibitor Statine-like inhibitor... 13 5
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 17 28
Pol polyprotein inhibitor N-[3-[[(4R,5R,6R)-4-benzyl-5-hydroxy... 1 0
Growth hormone secretagogue receptor type 1 ligand 2-amino-N-[... 3 0
Pol polyprotein inhibitor Carbamic acid, ((2-hydroxy-1,4-bis(p... 21 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 8 8
Prothrombin and Cationic trypsin inhibitor tert-butyl N-[(2R)-... 4 3
Prothrombin inhibitor (2S)-N-[(6-carbamimidoylpyridin-3-yl)met... 2 14
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 5 2
Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-... 1 2
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 2 0
Growth hormone-releasing hormone receptor ligand ethyl (1S)-1'... 3 2
Somatostatin receptor type 2 ligand (2R,3S)-N-[(5-amino-1,3-di... 2 5
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 3 0
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 2 2
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
Substance-P receptor ligand N-[(2S)-5-[3,5-bis(trifluoromethyl... 4 6
Renin inhibitor (3R)-4-[[(2S,5S)-1-cyclohexyl-3-hydroxy-6-meth... 3 4
Pol polyprotein inhibitor (2R,3R,4R,5S)-5-[[(2S)-2-[5-[(4R,6aS... 1 0
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 4
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 20 2
Pol polyprotein inhibitor AC1LAHQ9 family 8 15
Prothrombin and Tissue-type plasminogen activator inhibitor 2-... 4 5
Renin inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5S)-5-(... 2 0
Pol polyprotein inhibitor AC1LAHRX family 4 0
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3S)-1-cyclohexyl-3-h... 1 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor Di... 2 3
Probable G-protein coupled receptor 142 ligand (2S)-N-(2-oxo-5... 2 1
Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chloro... 6 8
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
Metabotropic glutamate receptor 5 ligand AGN-PC-09SALK family 2 15
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 4
Stromelysin-1 and 72 kDa type IV collagenase inhibitor (2S,4R)... 2 2
Pol polyprotein inhibitor 183854-15-1 family 3 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 4 1
Renin inhibitor tert-butyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4... 2 2
Renin inhibitor (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohe... 6 0
Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-... 3 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(1-benz... 2 1
Angiotensin-converting enzyme inhibitor AC1L1IZN family 2 2


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00428026 CHEMBL64001 Bioactive AGN-PC-074E9J
CFAMM00428025 CHEMBL262786 Bioactive tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-5-oxopentan-2-yl]amino]-3-(2H-imidazol-2-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CFAMM00428024 CHEMBL294744 Bioactive AGN-PC-074DWX
CFAMM00428023 CHEMBL63687 Bioactive tert-butyl N-[1-[[1-[[1-cyclohexyl-4,4-difluoro-5-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3,5-dioxopentan-2-yl]amino]-3-(2H-imidazol-2-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CFAMM00428027 CHEMBL304853 Bioactive tert-butyl N-[1-[[1-[[(4S)-2,2-difluoro-6-methyl-1-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-1,3-dioxoheptan-4-yl]amino]-3-(2H-imidazol-2-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

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
 

 

27512 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