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 CFFBM8179
Family Name Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone family
No. of Seeds 1 No. of Other Members 16
Family Centroid CFAMM00386075 Functional Category Bioactive with Natural Product
Superfamily Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Superfamily
Class Class 3172

Cousin Family NamesSeedsMembers
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
Synaptic vesicular amine transporter inhibitor indole alkaloi... 3 11
ostatin receptor 5 Ligand Pasireotide Diaspartate Family 11 151
Coagulation factor X Inhibitor Apixaban Family 34 52
5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 12 197
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
von Willebrand factor Inhibitor Auryntricarboxylic Acid (ata) ... 12 81
Integrin beta-3 Inhibitor L-756568 Family 8 59
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
Platelet-derived growth factor receptor alpha and Platelet-der... 4 54
5-hydroxytryptamine receptor 2C Ligand N-(6-phenoxypyridin-3-y... 9 69
D(2) dopamine receptor and D(3) dopamine receptor Ligand D-366... 5 75
Cyclin-dependent kinase 2 and G1/S-specific cyclin-E1 Inhibito... 5 1
5-hydroxytryptamine receptor 2A and Alpha-2A adrenergic recept... 4 29
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
Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 16
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 7 44
Disintegrin and metalloproteinase domain-containing protein 17... 14 9
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 1 14
Vasopressin V1a receptor and Vasopressin V2 receptor ligand (3... 4 41
Disintegrin and metalloproteinase domain-containing protein 17... 2 8
Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f ... 3 18
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 14 48
Vascular endothelial growth factor receptor 2 ligand indolyl q... 2 1
Muscarinic acetylcholine receptor M2 and Acetylcholinesterase ... 4 24
Cannabinoid receptor 1 and Cannabinoid receptor 2 ligand SureC... 8 32
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 5
Histamine H3 receptor and Cytochrome P450 2D6 ligand AGN-PC-00... 18 32
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
Disintegrin and metalloproteinase domain-containing protein 17... 4 1
Melanin-concentrating hormone receptor 1 and Cytochrome P450 3... 8 2
Cellular tumor antigen p53 and Microtubule-associated protein ... 1 4
Cellular tumor antigen p53 and DNA polymerase beta inhibitor C... 1 15
Growth hormone secretagogue receptor type 1 ligand 2-amino-N-[... 3 3
Hypoxia-inducible factor 1-alpha and Lethal factor inhibitor C... 1 1
Poly [ADP-ribose] polymerase 1 inhibitor SureCN5002485 family 2 11
Prelamin-A/C and Microtubule-associated protein tau inhibitor ... 1 16
Translocator protein inhibitor N-(4-methoxyphenyl)-N,3-dimethy... 2 2
Cellular tumor antigen p53 and Microtubule-associated protein ... 1 15
D(3) dopamine receptor ligand N-[4-[4-(2,3-dichlorophenyl)pipe... 3 15
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
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 5
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 16 19
NS5B protein inhibitor AC1O5AET family 3 1
Serine/threonine-protein kinase RIO2 and Serine/threonine-prot... 19 10
Translocator protein inhibitor (4S)-N,N-diethyl-9-(2-fluoranyl... 9 10
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
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
Substance-P receptor ligand 1-[4-(2-methoxyphenyl)piperazin-1-... 11 12
Sodium-dependent serotonin transporter and Alpha-1B adrenergic... 42 20
Platelet-derived growth factor receptor alpha and Vascular end... 3 1
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 6 159
Cholinesterase and Acetylcholinesterase inhibitor tacrine deri... 10 0
Cathepsin K inhibitor (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-meth... 3 0
Substance-P receptor ligand AGN-PC-01VLKE family 9 11
Beta-2 adrenergic receptor ligand SureCN4598646 family 7 7
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
Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3... 1 0
Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ... 1 1
Neutrophil collagenase and Stromelysin-1 inhibitor (3R)-N-hydr... 2 0
Histone deacetylase 3 and Histone deacetylase 9 inhibitor AGN-... 4 20
Mu-type opioid receptor ligand MITRAGYNINE family 2 8
Cathepsin K inhibitor N-[(2S)-4-methyl-1-[2-[4-(2-methylpropox... 4 0
Matrix metalloproteinase-9 and Neutrophil collagenase inhibito... 3 7
Interstitial collagenase and Matrilysin inhibitor (3S,6R,7S)-N... 2 4
Vasopressin V2 receptor ligand SureCN4400636 family 1 0
Gonadotropin-releasing hormone receptor ligand 2-[2-(4-methoxy... 1 1
Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 9
D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 2 0
Substance-P receptor ligand AGN-PC-0D60L0 family 2 7
Histone deacetylase 1 inhibitor (7S)-N-hydroxy-7-[[2-(5-methox... 1 2
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor CHEMBL4... 6 2
5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 5 0
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 2 3
Mitogen-activated protein kinase 14 inhibitor SureCN4508019 fa... 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 ... 1 0
Smoothened homolog inhibitor N-[amino-[3-(1H-indol-2-yl)anilin... 1 4
Histone deacetylase 1 inhibitor (2S)-2-[[2-(5-methoxy-2-methyl... 2 2
Telomerase reverse transcriptase inhibitor N-[9-(4-methoxyanil... 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00386075 CHEMBL1793985 Bioactive (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

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
 

 

22932 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