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 CFFBM7045
Family Name Cathepsin K inhibitor [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate family
No. of Seeds 7 No. of Other Members 7
Family Centroid CFAMM00376684 Functional Category Bioactive
Superfamily Cathepsin K and Cathepsin S Binder Superfamily 8
Class Class 859

Cousin Family NamesSeedsMembers
Sodium-dependent dopamine transporter inhibitor substituted ph... 22 416
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Sodium channel protein type 5 subunit alpha Ligand Mephenytoin... 5 51
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
Melanocortin receptor 4 Ligand Ro-27-3225 Family 6 52
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Hemagglutinin Inhibitor Cl 385319 Family 18 101
Renin Inhibitor CP-80794 Family 16 112
Prothrombin Inhibitor Efegatran Family 9 47
Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-m... 49 348
Cathepsin F and Cruzipain Inhibitor WRR-99 Family 13 131
Beta-secretase 1 Inhibitor MMI-175 Family 30 137
Beta-secretase 1 Inhibitor N-(1-benzylpiperidin-4-yl)-4-sulfan... 7 62
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Disintegrin and metalloproteinase domain-containing protein 17... 8 7
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family 17 24
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Beta-secretase 1 Inhibitor Glu-leu-asp-leu-(choh-ch2)-ala-ala-... 15 11
Cathepsin K and Cathepsin L1 Inhibitor N-benzoyl-phenylalanyl-... 13 77
Caspase-1 Inhibitor Z-vad-cho Family 8 34
Cathepsin B and Cathepsin K Inhibitor (s)-1-benzylcyclopentyl ... 11 5
Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme ... 17 51
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Cytosolic phospholipase A2 Inhibitor Methyl 2-(2-oxo-8-phenylo... 2 3
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 44 28
Cathepsin S Inhibitor N-(1-oxobutan-2-yl)-3-(trifluoromethyl)b... 2 10
Sodium channel protein type 1 subunit alpha and Sodium channel... 4 31
Prolyl endopeptidase Inhibitor SUAM-1221 Family 42 47
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
Aminopeptidase N Inhibitor 2-cinnamamido-n4-hexyl-n1-hydroxysu... 24 8
Cathepsin K inhibitor [(3S)-4,4-dimethyl-1-(naphthalene-2-carb... 4 9
Cathepsin K inhibitor (4-phenylphenyl) (3S)-3-[[(3S)-1,2-dioxo... 4 10
Cathepsin K inhibitor [(3S)-4,4-dimethyl-2-oxo-1-(2-phenylethy... 7 9
Cathepsin K inhibitor [(3S)-4,4-dimethyl-2-oxo-1-(phenylcarbam... 3 1
Cathepsin K inhibitor [(3S)-1-(1-benzothiophene-2-carbonyl)-4,... 2 3
Cathepsin K inhibitor [(3S)-1-(benzenesulfonyl)-4,4-dimethylpy... 2 0
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Renin and Cathepsin D inhibitor (2S)-N-[(2S,3R,4S)-1-cyclohexy... 13 2
Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmeth... 14 1
Prelamin-A/C and Survival motor neuron protein inhibitor CHEMB... 1 3
Peptide deformylase inhibitor (2R)-N-[(2S)-1-(4-fluorophenyl)-... 4 0
Cathepsin K and Cathepsin S inhibitor 1-benzyl-3-[(2S)-1-[[cya... 1 0
Neutrophil elastase inhibitor benzyl N-[(2S)-1-[(2S)-2-[[(3S)-... 4 0
Chymase and Chymotrypsinogen A inhibitor tert-butyl N-[(2S)-1-... 2 7
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 3 4
Cathepsin K and Cathepsin S inhibitor (2,2,4-trimethyl-3-bicyc... 1 0
Cathepsin K and Cathepsin S inhibitor SureCN6197793 family 1 0
NS3 and Neutrophil elastase inhibitor (2S)-3-[(2S)-2-(tert-but... 1 3
NS3 inhibitor SureCN14450642 family 4 7
NS3 inhibitor 2-methylpropyl N-[(2S)-1-[(3aR,4S,6aR)-4-[[1-[[2... 1 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 15 0
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
Pepsin A and Renin inhibitor N-[(3R)-1-[[(1S)-1-hydroxy-3-[[(2... 1 0
Chymase and Chymotrypsinogen B inhibitor AGN-PC-075LTI family 2 3
Sigma non-opioid intracellular receptor 1 ligand tert-butyl N-... 1 9
Histone deacetylase 1 and Histone deacetylase 8 inhibitor meth... 1 3
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Papain and Cathepsin S inhibitor dipeptide-derived nitrile, 28... 1 2
Peptide deformylase and Peptide deformylase 1A, chloroplastic/... 1 2
NS3 inhibitor 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamin... 2 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 1 5
Acetylcholinesterase and Cholinesterase inhibitor hexyl (2S)-5... 1 7
Pol polyprotein inhibitor methyl (2S)-2-[[(2S)-2-[[(2S)-2-[5-[... 1 2
NP Tert-butyl ((s)-1-oxo-1-((1r,5s)-8-oxo-5,6-dihydro-1h-1,5-m... 1 0
Putative NP ZINC08790318 Family 1 0
4-[[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pheny... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00376684 CHEMBL349045 Bioactive [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CFAMM00376689 CHEMBL197509 Bioactive 2-adamantyl N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CFAMM00376681 CHEMBL355138 Bioactive dicyclopentylmethyl N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CFAMM00376687 CHEMBL354473 Bioactive 2,2,4,4-tetramethylpentan-3-yl N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CFAMM00376691 CHEMBL163286 Bioactive [(3R)-2,2-dimethyl-6-phenylhexan-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-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
 

 

27293 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