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 CFFBM12485
Family Name Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-protein ligase XIAP inhibitor (3S,8aR)-2-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;hydrochloride family
No. of Seeds 3 No. of Other Members 1
Family Centroid CFAMM00070859 Functional Category Bioactive
Superfamily Substance-P receptor Ligand Orvepitant Superfamily
Class Class 1036

Cousin Family NamesSeedsMembers
Vasopressin V1a receptor Ligand Felypressin Family 12 820
5-hydroxytryptamine receptor 3A Ligand Palonosetron Family 12 403
Sodium channel protein type 5 subunit alpha Ligand Indecainide... 2 41
Sodium channel protein type 5 subunit alpha Ligand Mephenytoin... 5 51
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Angiotensin-converting enzyme Inhibitor Quinapril Family 3 105
Glutathione S-transferase Inhibitor Praziquantel Family 5 167
Noradrenergic re-uptake and Serotonin re-uptake Inhibitor Diet... 29 276
Tumor necrosis factor Inhibitor Thalidomide Family 3 50
DNA Binder Procarbazine Family 8 358
Microsomal triglyceride transfer protein large subunit Inhibit... 15 208
Motilin receptor Ligand GSK962040 Family 30 457
Substance-P receptor Ligand Orvepitant Family 11 46
Substance-P receptor Ligand Vestipitant Family 14 137
Bavisant family 9 65
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
Prothrombin Inhibitor Efegatran Family 9 47
Neutrophil elastase Inhibitor FK-706 Family 8 85
Prothrombin Inhibitor LB30812 Family 12 36
Poly(ADP-ribose) glycohydrolase Inhibitor N-bis-(3-phenyl-prop... 3 7
Prothrombin Inhibitor Ppack Family 5 4
Prothrombin Inhibitor D-leucyl-n-(3-chlorobenzyl)-l-prolinamid... 18 168
Prothrombin Inhibitor D-leucyl-n-(4-carbamimidoylbenzyl)-l-pro... 13 44
Proto-oncogene tyrosine-protein kinase Src Inhibitor RU83876 F... 3 51
Beta-secretase 1 Inhibitor N-(1-benzylpiperidin-4-yl)-4-sulfan... 7 62
Poly [ADP-ribose] polymerase 1 Inhibitor 3,4-dihydro-5-methyl-... 3 2
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Farnesyltransferase beta subunit, putative and Protein farnesy... 24 82
Integrin beta-3 Inhibitor L-709780 Family 9 10
Farnesyltransferase beta subunit, putative and Protein farnesy... 6 3
Aromatase Inhibitor 3-(4-amino-phenyl)-1-methyl-pyrrolidine-2,... 4 8
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
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 41 24
Dipeptidyl peptidase 4 Inhibitor N4-(4-chlorobenzyl)-2,4-diami... 10 22
Melanocortin receptor 4 and Substance-K receptor Ligand Hoo-ph... 3 19
Histamine H3 receptor Ligand N-benzyl-4-cyclopentylpiperazine-... 3 19
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
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 3 21
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Substance-P receptor Ligand [sar9,met(o2)11]-sp Family 34 9
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
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 2 80
Melatonin receptor type 1A Ligand N-(2,3-dihydro-1h-phenalen-2... 8 13
Aminopeptidase N Inhibitor N1-(4-chlorobenzyl)-2-benzyl-n3-hyd... 9 86
5-hydroxytryptamine receptor 2A Ligand N-(1-(3-bromobenzyl)pip... 6 10
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
Cholecystokinin receptor type A Ligand CR-1795 Family 19 41
Melanocortin receptor 4 and Melanocyte-stimulating hormone rec... 3 10
Substance-P receptor ligand AGN-PC-00FJ8P family 6 10
Substance-P receptor ligand (2S)-N-[(2S)-1-[benzyl(methyl)amin... 5 9
Cathepsin K inhibitor [(3S)-4,4-dimethyl-1-(naphthalene-2-carb... 4 9
Substance-K receptor ligand 4-(4-methylphenyl)-N-[1-[[(2S)-5-[... 6 0
Substance-K receptor ligand (4S)-4-amino-1-[4-(oxan-4-ylmethyl... 1 2
Prolyl endopeptidase inhibitor SureCN194654 family 3 4
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor (2R)-... 2 0
72 kDa type IV collagenase and Matrilysin inhibitor (2S,3R)-N-... 1 0
72 kDa type IV collagenase and Stromelysin-1 inhibitor [(2S)-2... 9 6
C-C chemokine receptor type 5 ligand AC1L9USC family 3 2
Kappa-type opioid receptor ligand 6-[2-oxo-2-[(2S)-2-(pyrrolid... 6 4
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
Dipeptidyl peptidase 4 inhibitor (2S)-1-[(2S,4S,5S)-4-(1,3-dih... 3 14
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 5 3
Oxytocin receptor and Vasopressin V1a receptor ligand L 365209... 6 1
Cathepsin K and Cathepsin S inhibitor (2S)-N-(cyanomethyl)-2-[... 14 4
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 3 0
Prelamin-A/C and Survival motor neuron protein inhibitor CHEMB... 1 3
Survival motor neuron protein inhibitor CHEMBL1323700 family 1 4
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 1 8
Shiga toxin 1 variant B subunit and Shiga toxin 1 variant A su... 1 3
Acetylcholinesterase inhibitor 5-benzoyl-2-[2-(1-benzylpiperid... 2 3
Cathepsin S inhibitor SureCN7062841 family 7 7
Coagulation factor X and Trypsin-1 inhibitor 3-carbamimidoyl-N... 1 1
Cathepsin K and Cathepsin S inhibitor 1-benzyl-3-[(2S)-1-[[cya... 1 0
Neuromedin-K receptor ligand SureCN2477089 family 2 4
Chymase and Chymotrypsinogen A inhibitor tert-butyl N-[(2S)-1-... 2 7
Melanocortin receptor 4 and Melanocortin receptor 5 ligand (2S... 16 24
Melanocortin receptor 4 and Melanocortin receptor 5 ligand AC1... 7 31
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 3 0
Ceramide glucosyltransferase and Cytochrome P450 3A4 inhibitor... 7 16
Dipeptidyl peptidase 4 inhibitor (3R)-4-[(3R)-3-amino-4-(2,4,5... 6 6
C-C chemokine receptor type 5 ligand N-[(1S)-3-[4-[[2-(2,4-dic... 4 9
Dipeptidyl peptidase 8 inhibitor (2S)-2-amino-4-[4-[bis(4-fluo... 2 9
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 0
Sigma non-opioid intracellular receptor 1 ligand (10aS)-2-(2-p... 1 2
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 (3S,4S)-N-[[3,5-bis(trifluoromethy... 8 9
Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-p... 2 1
Dipeptidyl peptidase 4 inhibitor SureCN2709139 family 5 7
Oxytocin receptor and Vasopressin V2 receptor ligand (2R)-2-(2... 4 2
Oxytocin receptor ligand (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-ind... 2 0
Dipeptidyl peptidase 2 and Dipeptidyl peptidase 4 inhibitor (2... 3 10
Kinesin-like protein KIF11 and Potassium voltage-gated channel... 4 1
Histamine H3 receptor and Potassium voltage-gated channel subf... 9 0
Peptide deformylase inhibitor (2S)-N-benzoyl-1-[(2R)-2-(cyclop... 2 2
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 9 1
Melanocortin receptor 4 and Melanocortin receptor 5 ligand (3R... 7 1
Melanocortin receptor 4 and Melanocortin receptor 5 ligand (3R... 6 1
NS3 inhibitor SureCN14450642 family 4 7
Melanocortin receptor 4 ligand N-[(2R)-3-(4-chlorophenyl)-1-[4... 8 4
Melanocortin receptor 4 ligand N-[(2R)-3-(4-chlorophenyl)-1-[4... 11 9
Cathepsin K and Cysteine proteinase B inhibitor N-[(2S)-1-[(3a... 1 1
Substance-P receptor ligand AGN-PC-073QYE family 6 11
Melanin-concentrating hormone receptor 1 and Cytochrome P450 2... 3 4
Cathepsin K and Cathepsin S inhibitor (1R,2R)-N-(cyanomethyl)-... 1 0
C-C chemokine receptor type 1 ligand N-[(2R)-1-[4-(4-chlorophe... 2 4
Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-p... 3 0
Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-p... 4 0
P2X purinoceptor 7 inhibitor SureCN8516206 family 5 1
Muscarinic acetylcholine receptor M3 and Muscarinic receptor 3... 3 0
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 2 1
Cannabinoid receptor 2 ligand 1-adamantyl(1,3-dihydroisoindol-... 1 0
Matrix metalloproteinase-9 and 72 kDa type IV collagenase inhi... 1 162
Melanocortin receptor 4 and Melanocortin receptor 5 ligand N-[... 6 0
Sodium-dependent serotonin transporter and Sodium-dependent no... 1 0
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 15 0
Cationic trypsin and Prothrombin inhibitor (3S,6S)-6-amino-6-b... 4 2
Follicle-stimulating hormone receptor ligand N-[[3-[4-[[(2S,5S... 7 0
Sodium-dependent dopamine transporter and Transporter inhibito... 6 0
Substance-P receptor and Potassium voltage-gated channel subfa... 5 1
72 kDa type IV collagenase and Stromelysin-1 inhibitor (2R)-N-... 10 0
Prothrombin inhibitor N-[7-amino-1-[2-(4-carbamoylphenyl)ethyl... 8 1
Prolyl endopeptidase inhibitor [(2S)-2-(pyrrolidine-1-carbonyl... 3 0
Kappa-type opioid receptor ligand SureCN5629426 family 3 2
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 20 2
Dipeptidyl peptidase 2 and Dipeptidyl peptidase 4 inhibitor Su... 1 1
5-hydroxytryptamine receptor 2A and D(2) dopamine receptor lig... 1 0
Melanocortin receptor 4 and Melanocortin receptor 3 ligand (2S... 2 0
C-C chemokine receptor type 5 ligand N-benzyl-N-[(3R)-1-[(1S,5... 1 3
Muscarinic acetylcholine receptor M3 ligand N-[[4-fluoro-3-[3-... 3 0
Histamine H3 receptor ligand Conessine analogue, 13e family 1 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 inhibitor N-... 9 0
Receptor tyrosine-protein kinase erbB-2 and Disintegrin and me... 1 0
Prothrombin inhibitor 1-(2-amino-3,3-diphenylpropanoyl)-N-[(3-... 1 1
Interstitial collagenase and 72 kDa type IV collagenase inhibi... 1 1
Kappa-type opioid receptor and Delta-type opioid receptor liga... 3 1
Beta-secretase 1 inhibitor [(3'S,4R)-7-bromospiro[2,3-dihydro-... 1 0
B2 bradykinin receptor ligand CHEMBL2028837 family 2 1
NS3 inhibitor 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamin... 2 0
5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic recept... 1 1
DNA polymerase beta and Muscleblind-like protein 1 inhibitor C... 1 0
Putative fructose-1,6-bisphosphate aldolase and Nuclear recept... 1 6


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00416084 CHEMBL2316223 Bioactive (3S,8aR)-2-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;hydrochloride

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
 

 

26855 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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