CFam Chemical Families Database
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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 CFFBM12033
Family Name Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-(5-fluoropyridin-2-yl)-3-methylbutyl]piperidine-3-carboxamide family
No. of Seeds 6 No. of Other Members 8
Family Centroid CFAMM00413423 Functional Category Bioactive
Superfamily Glycogen phosphorylase, muscle form Inhibitor PSN357 Superfamily
Class Class 913

Cousin Family NamesSeedsMembers
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 14 2769
Histamine H1 receptor ligand tricyclic antidepressant Loratadi... 5 163
HIV protease Inhibitor Saquinavir Family 64 428
D(1A) dopamine receptor ligand ergot alkaloid Methylergonovine... 22 170
Gastrin/cholecystokinin type B receptor ligand peptide Pentaga... 26 1171
5-hydroxytryptamine receptor 3A Ligand Granisetron Family 26 212
Histamine H1 receptor ligand tricyclic antidepressant Deslorat... 6 136
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Family 9 243
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
HIV-1 protease Inhibitor Atazanavir Family 16 58
Histamine H1 receptor Ligand Triprolidine Family 19 316
Indoleamine 2,3-dioxygenase 1 Inhibitor L-tryptophan Family 8 328
26S proteasome Inhibitor Bortezomib Family 7 65
SUR2-type K(ATP) channel Ligand Nicorandil Family 5 85
Prothrombin Inhibitor Ximelegatran Family 8 157
Transient receptor potential cation channel subfamily V member... 15 158
Hepatocyte growth factor receptor Ligand Arq 197 Family 10 400
Glycogen synthase kinase-3 beta and Protein kinase C beta type... 5 53
Farnesyltransferase beta subunit, putative Inhibitor Lonafarni... 36 87
Glycogen phosphorylase, muscle form Inhibitor PSN357 Family 3 253
Neuromedin-K receptor Ligand SB222200 Family 17 235
Calcitonin gene-related peptide type 1 receptor Ligand Telcage... 25 124
Substance-P receptor Ligand GSK424887 Family 8 184
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Glutamate receptor AMPA subtype Ligand CX-516 Family 9 24
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
Growth hormone receptor Ligand EP-51216 Family 34 390
D(3) dopamine receptor Ligand SB-277011 Family 13 178
Substance-P receptor Ligand TAK-637 Family 18 63
Amg 423 family 7 47
Histone deacetylase Inhibitor JNJ-26481585 Family 2 5
ABC294640 family 5 75
CP-18770 family 6 27
Gastrin/cholecystokinin type B receptor Ligand PD136450 Family 53 117
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
5-hydroxytryptamine receptor 2A Ligand RP-68303 Family 7 44
Lethal factor Inhibitor GM6001 Family 50 435
XL-888 family 16 85
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Class II cytokine receptor Ligand IL-10 Family 7 45
Somatostatin receptor type 2 Ligand L-054852 Family 13 88
5-hydroxytryptamine receptor 2B Ligand Sb 206553 Family 14 21
Carbonic anhydrase 2 Inhibitor N-[2-(1h-indol-5-yl)-butyl]-4-s... 12 70
Integrin beta-3 Inhibitor Elarofiban Family 28 45
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(4... 4 21
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 4 93
Histone deacetylase 6 Inhibitor N-(quinolin-3-yl)-6-(sulfamoyl... 4 8
Alpha-1A adrenergic receptor Ligand L-771688 Family 8 14
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[n... 12 10
Melanocortin receptor Ligand Ac-his-dnal(2)-arg-trp-nh2 Family 112 67
Transient receptor potential cation channel subfamily V member... 6 23
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
Cannabinoid receptor 1 Ligand N-phenyl-5,6-dip-tolylpyrazine-2... 11 26
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
C-C chemokine receptor type 5 Ligand GT-1282 Family 21 14
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 5-... 4 10
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Hydroxycarboxylic acid receptor 2 Ligand 2-(6-phenylhexyl)pyri... 4 11
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 19 108
Mitogen-activated protein kinase 14 Inhibitor N-(4-fluorobenzy... 19 32
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Sodium channel protein type 10 subunit alpha Ligand N-benzyl-5... 11 46
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 3 29
Glutamate receptor 1 Ligand Piriqualone Family 8 67
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 5 22
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
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 12 72
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Histone deacetylase Inhibitor ST-5732 Family 8 6
Bombesin receptor subtype-3 and Gastrin-releasing peptide rece... 42 7
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Cycl... 7 6
Pol polyprotein inhibitor AC1LAD48 family 19 5
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 3 5
Prothrombin inhibitor SureCN7371121 family 13 3
Pol polyprotein inhibitor penicillin deriv. 40 family 2 4
RAC-alpha serine/threonine-protein kinase and Cyclin-dependent... 3 7
Prolyl endopeptidase inhibitor [(2S,3aS,7aS)-2-(pyrrole-1-carb... 2 0
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 6 2
Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[... 7 58
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 17 28
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 14 8
Neuropeptide Y receptor type 5 ligand 2-[4-(benzenesulfonamido... 2 27
Muscarinic acetylcholine receptor M2 ligand AGN-PC-0745NK family 2 6
Serine/threonine-protein kinase D1 inhibitor SureCN1424142 family 13 8
Histamine H3 receptor ligand 1-[1-[1-[(2-aminopyridin-4-yl)met... 16 9
Histamine H3 receptor and Cytochrome P450 3A4 ligand AGN-PC-08... 15 5
Prothrombin and Cationic trypsin inhibitor tert-butyl N-[(2R)-... 4 3
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1233942 ... 6 0
Prothrombin inhibitor (2S)-N-[(6-carbamimidoylpyridin-3-yl)met... 2 14
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 11 20
Neuronal acetylcholine receptor subunit alpha-7 and Acetylchol... 2 3
Histamine H3 receptor ligand AGN-PC-04YWRD family 5 13
Cathepsin K inhibitor SureCN2155973 family 3 1
Prothrombin and Trypsin-1 inhibitor SureCN12636557 family 9 1
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 3 8
Somatostatin receptor type 2 ligand (2R,3S)-N-[(5-amino-1,3-di... 2 5
D(2) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 5 8
Peptide deformylase inhibitor (2R)-N-[(2S)-3,3-dimethyl-1-oxo-... 2 1
Platelet-activating factor receptor ligand YM-461 family 1 11
Dipeptidyl peptidase 4 inhibitor (2S)-1-[2-[5-(aminomethyl)-2-... 4 4
Ceramide glucosyltransferase inhibitor AGN-PC-07YS0C family 4 3
Bifunctional epoxide hydrolase 2 inhibitor AGN-PC-04SK7R family 3 3
Prothrombin inhibitor AGN-PC-09QKE4 family 1 0
Substance-K receptor ligand N-[1-[[(2R)-5-[4-(oxan-4-ylmethyl)... 2 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor 2-... 18 2
Substance-P receptor ligand N-[(2S)-5-[3,5-bis(trifluoromethyl... 4 6
Substance-P receptor and Neuromedin-K receptor ligand SureCN88... 4 14
Histamine H3 receptor ligand SureCN1857507 family 1 4
Histone deacetylase and Histone deacetylase 3 inhibitor (3S,6R... 2 2
Renin and Potassium voltage-gated channel subfamily H member 2... 9 2
Smoothened homolog inhibitor (8aS)-N-[2-(3-cyanophenyl)pyridin... 3 4
Renin inhibitor [2-[(3-fluoro-2-methylphenyl)methyl]-6-methyl-... 2 1
CGMP-dependent protein kinase inhibitor AGN-PC-075XII family 25 7
Neuronal acetylcholine receptor subunit alpha-7 and Neuronal a... 8 5
Delta-type opioid receptor and Potassium voltage-gated channel... 2 0
C-C chemokine receptor type 3 ligand 1-[(1R,2S)-2-[[3-[(4-fluo... 3 2
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 5 4
Acetylcholinesterase and Cholinesterase inhibitor AGN-PC-009GH... 8 10
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 10 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 3 1
Neuropeptide Y receptor type 5 ligand 2-indol-1-yl-N-[4-[(prop... 7 6
C-C chemokine receptor type 4 ligand [4-[4-[(2,4-dichloropheny... 4 4
Substance-P receptor ligand [3,5-bis(trifluoromethyl)phenyl]-[... 17 1
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 20 2
Egl nine homolog 1 inhibitor 1'-[(3-methylpyridin-2-yl)methyl]... 6 4
Protein kinase C theta type inhibitor (2-aminopyridin-3-yl)-[6... 4 1
Dipeptidyl peptidase 4 inhibitor [(2S,4S)-4-(4-quinolin-4-ylpi... 5 8
Prothrombin and Tissue-type plasminogen activator inhibitor 2-... 4 5
Cathepsin K and Cathepsin S inhibitor (2S)-N-(cyanomethyl)-4-m... 1 0
Melanin-concentrating hormone receptor 1 ligand N-[(3S)-1-[[(3... 2 0
Histamine H1 receptor and Alpha-1B adrenergic receptor ligand ... 8 1
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
Gonadotropin-releasing hormone receptor ligand 1-adamantyl-[2-... 3 1
Disintegrin and metalloproteinase domain-containing protein 17... 7 9
Disintegrin and metalloproteinase domain-containing protein 17... 13 3
Motilin receptor ligand SureCN2768052 family 3 0
C-C chemokine receptor type 2 ligand 2-[4-(5-amino-1H-indol-3-... 3 2
Renin inhibitor (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-d... 7 1
Renin inhibitor (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-d... 3 0
C-C chemokine receptor type 1 ligand N-[(2R)-1-[4-(4-chlorophe... 2 1
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 8
C-C chemokine receptor type 5 ligand 6-chloro-N-[(3R)-3-[4-[(5... 16 4
Histamine H3 receptor ligand [1-[(2-aminopyridin-4-yl)methyl]-... 2 0
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Histone deacetylase 1 inhibitor (2S)-N'-hydroxy-2-(pyridine-2-... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 2 2
Somatostatin receptor type 1 and Somatostatin receptor type 2 ... 2 18
C-C chemokine receptor type 2 ligand SureCN5947024 family 11 0
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 1 2
Renin inhibitor tert-butyl N-[1-[[1-[[1-cyclohexyl-4,4-difluor... 5 0
CGMP-dependent protein kinase inhibitor 1-[4-acetyl-3-[[4-[5-(... 2 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 4 1
Prothrombin inhibitor AGN-PC-073GVF family 12 1
Bombesin receptor subtype-3 ligand SureCN13887096 family 3 1
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 2 2
Platelet-activating factor receptor ligand SureCN9853140 family 3 3
Substance-P receptor and Substance-K receptor ligand N-methyl-... 2 2
Growth factor receptor-bound protein 2 ligand [4-[(2S)-2-aceta... 5 2
Gonadotropin-releasing hormone receptor ligand 1-[2-(3,5-dimet... 2 0
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 1 1
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 5 0
Nociceptin receptor and Mu-type opioid receptor ligand (1R,5R)... 4 17
Nociceptin receptor and Mu-type opioid receptor ligand N-[(1R,... 4 2
5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 3 4
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 1 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 1 1
Melanin-concentrating hormone receptor 1 ligand SureCN4917950 ... 3 5
Interstitial collagenase and Stromelysin-1 inhibitor CHEMBL887... 1 0
D(4) dopamine receptor ligand SureCN4006627 family 1 0
Acetylcholinesterase inhibitor CHEMBL267591 family 5 0
Vesicular acetylcholine transporter and Sigma non-opioid intra... 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00413424 CHEMBL2419041 Bioactive (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-(5-fluoropyridin-3-yl)-3-methylbutyl]piperidine-3-carboxamide
CFAMM00413423 CHEMBL2419040 Bioactive (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-(5-fluoropyridin-2-yl)-3-methylbutyl]piperidine-3-carboxamide
CFAMM00413422 CHEMBL2419044 Bioactive (E)-but-2-enedioic acid;(3S,5R)-5-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-N-[(1R)-1-(5-fluoropyridin-2-yl)-3-methylbutyl]piperidine-3-carboxamide
CFAMM00413428 CHEMBL2204734 Bioactive (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]piperidine-3-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
 

 

23724 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


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