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 CFFBM2596
Family Name Cathepsin K and Cathepsin S inhibitor (2S)-N-(cyanomethyl)-2-[[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]-4-methylpentanamide family
No. of Seeds 14 No. of Other Members 4
Family Centroid CFAMM00134946 Functional Category Bioactive
Superfamily Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class Class 1224

Cousin Family NamesSeedsMembers
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Sodium channel protein type 5 subunit alpha Ligand Indecainide... 2 41
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Glutathione S-transferase Inhibitor Praziquantel Family 5 167
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
DNA Binder Procarbazine Family 8 358
Noradrenergic re-uptake Inhibitor Milnacipran Family 7 51
Microsomal triglyceride transfer protein large subunit Inhibit... 15 208
Cathepsin K Inhibitor Odanacatib Family 33 84
Motilin receptor Ligand GSK962040 Family 30 457
Substance-P receptor Ligand Orvepitant Family 11 46
Substance-K receptor and Substance-P receptor Ligand DNK-333 F... 15 95
Substance-P receptor Ligand Vestipitant Family 14 137
Neuropeptide Y receptor type 1 Ligand BIBO3304 Family 4 69
5-hydroxytryptamine receptor 2A Ligand N-(1-(1-phenylethyl)pip... 22 207
Melanocortin receptor 4 Ligand Ro-27-3225 Family 6 52
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 11 67
Reverse transcriptase Inhibitor 3-benzylamino-5-ethyl-6-methyl... 2 24
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Hemagglutinin Inhibitor Cl 385319 Family 18 101
Neutrophil elastase Inhibitor FK-706 Family 8 85
Poly(ADP-ribose) glycohydrolase Inhibitor N-bis-(3-phenyl-prop... 3 7
Prothrombin Inhibitor D-leucyl-n-(3-chlorobenzyl)-l-prolinamid... 18 168
Prothrombin Inhibitor D-leucyl-n-(4-carbamimidoylbenzyl)-l-pro... 13 44
Enoyl-[acyl-carrier-protein] reductase [NADH] Inhibitor N-(4-m... 8 37
Proto-oncogene tyrosine-protein kinase Src Inhibitor RU83876 F... 3 51
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
Plasmepsin-2 Inhibitor PS-222036 Family 12 134
Histone deacetylase 1 Inhibitor 8-(3-benzoyl-ureido)-octanoic ... 7 13
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(6... 1 12
Cathepsin K and Cathepsin L1 Inhibitor N-benzoyl-phenylalanyl-... 13 77
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Tic... 11 31
Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme ... 17 51
D(2) dopamine receptor and D(3) dopamine receptor Ligand ST-19... 5 27
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 14 110
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Sodium-dependent dopamine transporter and Sodium-dependent nor... 28 71
Cannabinoid receptor 1 Ligand N-(3,3-diphenyl)propyl-2-phenyla... 4 18
Muscarinic acetylcholine receptor M4 and Muscarinic acetylchol... 20 55
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
Aminopeptidase N Inhibitor N1,2-dibenzyl-n3-hydroxymalonamide ... 5 23
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 9 66
Sodium channel protein type 1 subunit alpha and Sodium channel... 4 31
Melatonin receptor type 1A Ligand N-(2,3-dihydro-1h-phenalen-2... 8 13
Genome polyprotein Inhibitor Acdif-ile-cha-cys Family 37 96
Aminopeptidase N Inhibitor 2-benzyl-n1-hydroxy-n3-(4-phenylbut... 5 3
Aminopeptidase N Inhibitor N1-(4-chlorobenzyl)-2-benzyl-n3-hyd... 9 86
Prolyl endopeptidase Inhibitor SUAM-1221 Family 42 47
Aminopeptidase N Inhibitor 2-cinnamamido-n4-hexyl-n1-hydroxysu... 24 8
Voltage-dependent calcium channel gamma-1 subunit Ligand NP-11... 8 9
Melanocortin receptor 4 and Melanocyte-stimulating hormone rec... 3 10
Substance-P receptor ligand AGN-PC-00FJ8P family 6 10
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor (2R)-... 2 0
Kappa-type opioid receptor ligand 1-[(2S)-2-(pyrrolidin-1-ylme... 4 0
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 5 11
Cruzipain and Cathepsin F inhibitor SureCN12999163 family 1 0
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 3 0
Substance-P receptor ligand AGN-PC-075NRR family 2 1
Neprilysin inhibitor SureCN489232 family 3 9
Cathepsin K and Cathepsin S inhibitor 1-benzyl-3-[(2S)-1-[[cya... 1 0
Neuromedin-K receptor ligand SureCN2477089 family 2 4
Mitogen-activated protein kinase 14 and Cytochrome P450 2C9 in... 2 0
Vasopressin V1a receptor ligand N-[(2R)-3-(4-chlorophenyl)-1-[... 6 0
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor (2... 1 1
Lysosomal Pro-X carboxypeptidase inhibitor (2S,3S)-2-[(2-amino... 3 3
Lysine-specific histone demethylase 1A and Amine oxidase [flav... 2 1
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 7 3
Substance-P receptor ligand (3S,4S)-N-[[3,5-bis(trifluoromethy... 8 9
Dipeptidyl peptidase 4 inhibitor SureCN2709139 family 5 7
Oxytocin receptor and Vasopressin V2 receptor ligand (2R)-2-(2... 4 2
Dipeptidyl peptidase 2 and Dipeptidyl peptidase 4 inhibitor (2... 3 10
Kinesin-like protein KIF11 and Potassium voltage-gated channel... 4 1
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 9 1
Cathepsin K and Cathepsin L1 inhibitor (2S)-2-[[(1S)-1-(4-brom... 3 3
Dipeptidyl peptidase 4 inhibitor (2S,3S)-3-amino-4-[(3S)-3-flu... 1 5
C-C chemokine receptor type 2 ligand (2S)-N-[[3,5-bis(trifluor... 1 0
Histamine H3 receptor and Acetylcholinesterase ligand 1-[4-[[4... 1 2
Substance-P receptor ligand AGN-PC-073QYE family 6 11
C-C chemokine receptor type 2 ligand (1S,3R)-N-[[3-fluoro-5-(t... 22 27
Histamine H3 receptor ligand N-ethyl-3-fluoro-3-[3-fluoro-4-(p... 3 0
P2X purinoceptor 7 inhibitor SureCN8516206 family 5 1
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 3 1
C-C chemokine receptor type 2 ligand 2-amino-N-[2-[[(3R)-1-[(4... 5 1
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 3 0
Follicle-stimulating hormone receptor ligand N-[[3-[4-[[(2S,5S... 7 0
Substance-P receptor and Potassium voltage-gated channel subfa... 5 1
Kappa-type opioid receptor ligand SureCN5629426 family 3 2
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 inhibitor N-... 9 0
C-C chemokine receptor type 2 ligand (2S)-N-[[3,5-bis(trifluor... 1 1
Dipeptidyl peptidase 4 inhibitor (2S,4S)-4-fluoro-1-[2-[[(E)-2... 1 0
DNA polymerase beta and Muscleblind-like protein 1 inhibitor C... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00335826 CHEMBL597426 Bioactive (2S)-2-[[(1S)-1-[4-[4-[(2S)-1-amino-1-oxopropan-2-yl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-4-fluoro-4-methylpentanamide
CFAMM00335825 CHEMBL1669442 Bioactive 1-[4-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]amino]-2,2,2-trifluoroethyl]phenyl]-3-fluorophenyl]cyclopropane-1-carboxamide
CFAMM00335824 CHEMBL1669441 Bioactive 1-[4-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]amino]-2,2-difluoroethyl]phenyl]-3-fluorophenyl]cyclopropane-1-carboxamide
CFAMM00335830 CHEMBL598502 Bioactive 1-[4-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]amino]-2,2,2-trifluoroethyl]phenyl]phenyl]cyclopropane-1-carboxamide

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
 

 

45918 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