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 CFFBM15276
Family Name Cathepsin K inhibitor N-[(2S)-4-methyl-1-[2-[4-(2-methylpropoxy)anilino]ethylamino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide family
No. of Seeds 4 No. of Other Members 0
Family Centroid CFAMM00433143 Functional Category Bioactive
Superfamily Glycogen synthase kinase-3 beta and Cyclin-dependent kinase 2 Binder Superfamily
Class Class 2498

Cousin Family NamesSeedsMembers
Serine/threonine-protein kinase B-raf inhibitor diaryl urea an... 12 93
Cysteinyl leukotriene receptor 1 Ligand Zafirlukast Family 48 78
Melatonin receptor type 1A Ligand Melatonin Family 20 988
Sodium channel protein type 5 subunit alpha Ligand Dibucaine F... 2 136
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor indole... 28 2712
Cyclooxygenase Inhibitor Indomethacin Family 6 271
Somatostatin receptor type 2 ligand octapeptide Lanreotide Family 93 156
ostatin receptor 5 Ligand Pasireotide Diaspartate Family 11 151
Mast/stem cell growth factor receptor Kit and Vascular endothe... 1 4
Coagulation factor X Inhibitor Apixaban Family 34 52
Calcium-activated potassium channel subunit alpha-1 Ligand AVE... 3 284
5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 12 197
Genomic RNA for RNA-dependent RNA polymerase gene (clone HCV-J... 4 42
Indeglitazar family 3 39
Nicotinic acetylcholine receptor alpha2 / alpha3 Ligand Ibogai... 3 21
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 37 265
Protein kinase C theta type Inhibitor 4-(1h-indol-5-yloxy)-5-s... 21 194
C-C chemokine receptor type 2 and C-C motif chemokine 2 Ligand... 3 52
von Willebrand factor Inhibitor Auryntricarboxylic Acid (ata) ... 12 81
5-hydroxytryptamine receptor 1B Ligand GR55562 Family 3 45
Peroxisome proliferator-activated receptor gamma and Peroxisom... 15 94
Melatonin receptor type 1B Ligand N-(3-benzooxazol-7-yl-propyl... 26 101
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
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 2-benzyl-6-... 9 80
Integrin beta-3 Inhibitor L-756568 Family 8 59
Cannabinoid receptor 2 Ligand JWH-202 Family 9 172
Vascular endothelial growth factor receptor 1 Ligand Lycogarub... 6 292
DNA-dependent protein kinase catalytic subunit Inhibitor 8-(1h... 3 85
Serine/threonine-protein kinase Chk1 Inhibitor A-432411 Family 4 70
Cholecystokinin receptor type A Ligand VL-0395 Family 12 117
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 3-(furan-3-... 3 44
Platelet-derived growth factor receptor alpha and Platelet-der... 4 54
Platelet-derived growth factor receptor alpha and Platelet-der... 2 13
RAC-gamma serine/threonine-protein kinase Inhibitor A-443654 F... 67 59
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-3... 14 214
Neuromedin-K receptor Ligand 3-methoxy-n',2-diphenylquinoline-... 14 33
Mu-type opioid receptor Ligand 6-(4-(2-(benzylamino)ethyl)phen... 3 27
Neutrophil elastase Inhibitor Cbz-val-pro-val-(2-benzoxazole) ... 32 64
High affinity nerve growth factor receptor and Mitogen-activat... 2 7
5-hydroxytryptamine receptor 2C Ligand N-(6-phenoxypyridin-3-y... 9 69
Adenosine receptor A1 and Adenosine receptor A2a Ligand SB-298... 53 320
D(2) dopamine receptor and D(3) dopamine receptor Ligand D-366... 5 75
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 24 64
Reverse transcriptase Inhibitor Atevirdine Family 4 55
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 2 31
Arachidonate 5-lipoxygenase Inhibitor TZI-41127 Family 7 34
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 18 72
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 1 4
Fatty-acid amide hydrolase 1 Inhibitor 3-(benzo[d]oxazol-2-yl)... 1 6
Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 16
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 7 44
Tyrosine-protein kinase SYK and Low affinity immunoglobulin ep... 1 0
Muscarinic acetylcholine receptor M3 ligand [(3R)-1-[3-(1,3-be... 3 2
Disintegrin and metalloproteinase domain-containing protein 17... 14 9
Cannabinoid receptor 1 and 5-hydroxytryptamine receptor 1A lig... 2 12
Glycogen synthase kinase-3 beta and Protein kinase C alpha typ... 2 30
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 9 0
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 1 14
Histamine H3 receptor and Potassium voltage-gated channel subf... 2 21
Vasopressin V1a receptor and Vasopressin V2 receptor ligand (3... 4 41
Disintegrin and metalloproteinase domain-containing protein 17... 2 8
Histamine H3 receptor and Potassium voltage-gated channel subf... 3 11
Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f ... 3 18
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 10 4
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 2 6
Neutrophil collagenase and Stromelysin-3 inhibitor AC1MORIH fa... 7 9
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 14 48
Receptor-type tyrosine-protein kinase FLT3 and Mast/stem cell ... 3 5
Receptor-type tyrosine-protein kinase FLT3 and Vascular endoth... 4 4
Vascular endothelial growth factor receptor 2 ligand indolyl q... 2 1
Muscarinic acetylcholine receptor M2 and Acetylcholinesterase ... 4 24
Acetylcholinesterase and Muscarinic acetylcholine receptor M2 ... 2 7
Cannabinoid receptor 1 and Cannabinoid receptor 2 ligand SureC... 8 32
Neuronal acetylcholine receptor subunit alpha-7 ligand 2-[3-cy... 2 5
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 8 21
Somatostatin receptor type 5 and Somatostatin receptor type 1 ... 2 8
Collagenase 3 inhibitor N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methyl... 4 2
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 5
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 4 14
Histamine H3 receptor and Cytochrome P450 2D6 ligand AGN-PC-00... 18 32
Bifunctional epoxide hydrolase 2 inhibitor SureCN3216677 family 4 9
Histamine H3 receptor ligand AGN-PC-00BG7Z family 11 49
Histamine H3 receptor ligand (4S)-7-bromo-4-methyl-8-(1-propan... 2 0
D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 10 50
D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 4 6
Glutamate receptor ionotropic, NMDA 2D and Glutamate receptor ... 2 21
Renin inhibitor AGN-PC-09M9MJ family 2 23
Sodium channel protein type 10 subunit alpha and Sodium channe... 3 22
Disintegrin and metalloproteinase domain-containing protein 17... 4 1
Melanin-concentrating hormone receptor 1 and Cytochrome P450 3... 8 2
Cysteinyl leukotriene receptor 1 ligand AGN-PC-075KCE family 5 33
Prelamin-A/C inhibitor CHEMBL1374443 family 1 6
Cellular tumor antigen p53 and DNA polymerase beta inhibitor C... 1 15
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 5 2
Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-... 2 15
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 4 53
Growth hormone secretagogue receptor type 1 ligand 2-amino-N-[... 3 3
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor 3-(1,3-... 2 9
Cellular tumor antigen p53 inhibitor CHEMBL1395699 family 1 30
B2 bradykinin receptor ligand SureCN6640854 family 7 4
D(2) dopamine receptor and D(4) dopamine receptor ligand N-[3-... 6 22
Poly [ADP-ribose] polymerase 1 inhibitor SureCN5002485 family 2 11
Prelamin-A/C and Microtubule-associated protein tau inhibitor ... 1 16
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-3-... 8 3
Translocator protein inhibitor N-(4-methoxyphenyl)-N,3-dimethy... 2 2
Cellular tumor antigen p53 and Microtubule-associated protein ... 1 15
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 4 11
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 2 0
D(3) dopamine receptor ligand N-[4-[4-(2,3-dichlorophenyl)pipe... 3 15
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 2 0
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 3 21
Matrix metalloproteinase-9 and Interstitial collagenase inhibi... 2 3
Cannabinoid receptor 1 ligand 5-cyano-N-(3-hydroxy-2,2-dimethy... 17 4
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 2 0
Coagulation factor X and Trypsin-1 inhibitor AGN-PC-0759OR family 4 7
Coagulation factor X and Prothrombin inhibitor 6-[4-[2-[[(3R)-... 15 2
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic ... 5 12
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic ... 4 1
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 5
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 3 2
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 19
Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,... 1 16
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1801290 ... 3 0
Histone deacetylase 1 and Potassium voltage-gated channel subf... 1 0
Renin inhibitor [2-(3-fluoro-2,6-dimethylphenoxy)-1-phenylpyrr... 5 12
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 4 11
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 16 19
Mu-type opioid receptor ligand AGN-PC-075GBK family 4 4
D(2) dopamine receptor and Alpha-1B adrenergic receptor ligand... 3 4
NS5B protein inhibitor AC1O5AET family 3 1
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 inhibitor 3-... 4 8
Renin and Potassium voltage-gated channel subfamily H member 2... 4 0
Serine/threonine-protein kinase RIO2 and Serine/threonine-prot... 19 10
Glucagon receptor ligand 3-[[4-[(2S)-2-[5-(trifluoromethoxy)-1... 1 2
D(2) dopamine receptor and D(3) dopamine receptor ligand N-[3-... 7 3
C-C chemokine receptor type 5 ligand N-[(3R)-3-[4-[4-methoxy-N... 13 1
Disintegrin and metalloproteinase domain-containing protein 17... 1 2
Translocator protein inhibitor (4S)-N,N-diethyl-9-(2-fluoranyl... 9 10
Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ... 8 4
RAC-alpha serine/threonine-protein kinase inhibitor 5-[5-[(2S)... 14 2
Serine/threonine-protein kinase pim-2 and cGMP-dependent prote... 8 1
D(3) dopamine receptor ligand AGN-PC-075Z0O family 2 3
Vascular endothelial growth factor receptor 2 and Vascular end... 2 52
Histone deacetylase 6 and Histone deacetylase 1 inhibitor N-hy... 3 2
Cholinesterase and Acetylcholinesterase inhibitor 4-oxo-N-[9-(... 11 13
Prostaglandin D2 receptor 2 ligand 2-[1-[4-[(4-methoxybenzoyl)... 2 2
Substance-P receptor ligand (3R)-4-[3,5-bis(trifluoromethyl)be... 2 3
Histamine H3 receptor ligand 2-[4-(1-methylpyrrole-2-carbonyl)... 3 4
Disintegrin and metalloproteinase domain-containing protein 17... 13 3
Substance-P receptor ligand 1-[4-(2-methoxyphenyl)piperazin-1-... 11 12
Smoothened homolog and Mitogen-activated protein kinase 14 inh... 3 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 12 0
Disintegrin and metalloproteinase domain-containing protein 17... 16 2
Plasmepsin-2 and Cathepsin D inhibitor 4-[4-[[(2S,3S)-1-[[(3S,... 3 0
Sodium-dependent serotonin transporter and Alpha-1B adrenergic... 42 20
Sonic hedgehog protein inhibitor 3-methoxy-1-methyl-4-oxo-5-ph... 5 3
Coagulation factor X and Prothrombin inhibitor 1-(4-methoxyphe... 8 0
Growth hormone secretagogue receptor type 1 ligand SureCN36800... 14 42
Microsomal triglyceride transfer protein large subunit inhibit... 9 0
Cathepsin K inhibitor (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-meth... 3 0
Mu-type opioid receptor and Mu-type opioid receptor ligand (3S... 6 2
Fatty-acid amide hydrolase 1 inhibitor [3-(3-carbamoylpyrrol-1... 4 6
Substance-P receptor ligand AGN-PC-01VLKE family 9 11
Coagulation factor X inhibitor SureCN6785555 family 7 0
Acetylcholinesterase and Cholinesterase inhibitor N-[5-[(6-chl... 4 2
Peroxisome proliferator-activated receptor delta and Peroxisom... 7 5
Beta-2 adrenergic receptor ligand SureCN5346426 family 8 0
Beta-2 adrenergic receptor ligand SureCN4598646 family 7 7
72 kDa type IV collagenase and Matrix metalloproteinase-9 inhi... 4 3
Seprase and Prolyl endopeptidase inhibitor N-[2-[(2S)-2-cyanop... 1 3
Estrogen receptor and Estrogen receptor beta ligand N-[(2R)-4-... 7 11
Proto-oncogene tyrosine-protein kinase receptor Ret and Vascul... 5 14
Leucine-rich repeat serine/threonine-protein kinase 2 and Vasc... 1 1
Growth hormone secretagogue receptor type 1 ligand N-[(1R)-2-(... 3 2
Serine/threonine-protein kinase PLK4 inhibitor (3E)-5-methoxy-... 4 0
Disintegrin and metalloproteinase domain-containing protein 17... 5 4
Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3... 1 0
C-C chemokine receptor type 5 ligand N-methyl-4-[6-methyl-5-[[... 2 2
Disintegrin and metalloproteinase domain-containing protein 17... 5 0
Glutamate receptor ionotropic, NMDA 2B ligand SureCN5532501 fa... 1 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 1 0
Neutrophil collagenase and Stromelysin-3 inhibitor [3-[[1-amin... 3 2
Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ... 1 1
Gonadotropin-releasing hormone receptor ligand SureCN7905635 f... 2 2
Platelet-activating factor receptor ligand N,N-dimethyl-6-phen... 12 18
Neutrophil collagenase and Stromelysin-1 inhibitor (3R)-N-hydr... 2 0
D(2) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 1 0
Histone deacetylase 3 and Histone deacetylase 9 inhibitor AGN-... 4 20
Mu-type opioid receptor ligand MITRAGYNINE family 2 8
Alpha-1D adrenergic receptor and Alpha-1B adrenergic receptor ... 2 1
Substance-P receptor ligand (4R)-N-[(2R)-1-[benzyl(methyl)amin... 1 4
Substance-P receptor ligand SureCN2139814 family 7 7
Matrix metalloproteinase-9 and Neutrophil collagenase inhibito... 3 7
Vasopressin V2 receptor and Vasopressin V1a receptor ligand Su... 2 2
Interstitial collagenase and Matrilysin inhibitor (3S,6R,7S)-N... 2 4
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor 3-(2,3-... 2 1
Vasopressin V2 receptor ligand SureCN4400636 family 1 0
Gonadotropin-releasing hormone receptor ligand 2-[2-(4-methoxy... 1 1
Adenosine receptor A3 and Adenosine receptor A1 ligand 2-(3-me... 2 10
Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 9
Coagulation factor X inhibitor AGN-PC-046RMQ family 1 0
Neuromedin-B receptor and Gastrin-releasing peptide receptor l... 4 1
D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 2 0
Substance-P receptor ligand AGN-PC-00FIT5 family 3 11
Substance-P receptor ligand AGN-PC-0D60L0 family 2 7
Melanocortin receptor 4 and Melanocyte-stimulating hormone rec... 1 0
Histone deacetylase 1 inhibitor (7S)-N-hydroxy-7-[[2-(5-methox... 1 2
Coagulation factor X inhibitor AGN-PC-077MYE family 16 0
Coagulation factor X inhibitor SureCN5644036 family 30 0
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor CHEMBL4... 6 2
Adenosine receptor A2b and Adenosine receptor A2a ligand SureC... 2 0
5-hydroxytryptamine receptor 2B ligand SureCN1299002 family 2 8
5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 5 0
Histamine H3 receptor ligand SureCN1397929 family 1 1
B2 bradykinin receptor ligand 1-N,3-N-dimethyl-4-[methyl-[2-[[... 4 1
P2Y purinoceptor 12 inhibitor (4S)-4-[[4-[(1-acetylpiperidin-4... 58 15
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 6 0
C-C chemokine receptor type 8 and Potassium voltage-gated chan... 5 1
Bombesin receptor subtype-3 ligand 2-[[(E)-furan-2-ylmethylide... 2 4
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 2 3
Mitogen-activated protein kinase 14 inhibitor SureCN4508019 fa... 1 0
Disintegrin and metalloproteinase domain-containing protein 17... 1 0
Growth factor receptor-bound protein 2 ligand [4-[(2S)-2-aceta... 2 1
Signal transducer and activator of transcription 1-alpha/beta ... 1 36
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 1
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 1 0
Gamma-aminobutyric acid receptor subunit pi and Gamma-aminobut... 2 10
Potassium voltage-gated channel subfamily A member 5 ligand AG... 1 0
Histone deacetylase 1 inhibitor (2S)-2-[[2-(5-methoxy-2-methyl... 2 2
Bile acid receptor ligand SureCN1243717 family 1 4
Telomerase reverse transcriptase inhibitor N-[9-(4-methoxyanil... 2 0
Oxysterols receptor LXR-beta ligand indole derivative, 39 family 2 0
cGMP-inhibited 3',5'-cyclic phosphodiesterase B and cGMP-inhib... 1 0
Pol polyprotein inhibitor Phenprocoumon IndolEtCONH deriv. family 2 0
Amino Acids and Derivatives Metabolite Flazine Family 3 2


CFAM Mol ID

External ID

Functional Category

Molecule Name
CFAMM00433144 CHEMBL61382 Bioactive N-[(2S)-1-[2-[4-(cyclopentylmethoxy)anilino]ethylamino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CFAMM00433143 CHEMBL303959 Bioactive N-[(2S)-4-methyl-1-[2-[4-(2-methylpropoxy)anilino]ethylamino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CFAMM00433142 CHEMBL60835 Bioactive N-[(2S)-4-methyl-1-oxo-1-[2-(4-phenylmethoxyanilino)ethylamino]pentan-2-yl]-1H-indole-2-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
 

 

27063 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