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 CFFID611
Family Name Heat shock protein HSP 90-alpha Inhibitor 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- Family
No. of Seeds 5 No. of Other Members 83
Family Centroid CFAMM00215571 Functional Category Investigative Drug with Natural Product
Superfamily Leukotriene B4 receptor 1 and Heat shock protein HSP 90-alpha Binder Superfamily
Class Class 377

Cousin Family NamesSeedsMembers
Histamine H1 receptor Ligand Astemizole Family 7 240
Epidermal growth factor receptor Ligand Gefitinib Family 26 600
Peptide deformylase, mitochondrial Inhibitor Trimethoprim Family 67 482
Corticotropin-releasing factor receptor 1 Ligand CRF-1 Antagon... 29 421
Hypoxia-inducible factor 1-alpha Inhibitor Hif-1alpha Family 7 107
Cyclin-dependent kinase 2 Inhibitor Seliciclib Family 29 292
Receptor tyrosine-protein kinase erbB-2 Inhibitor CP-724714 Fa... 4 180
Vascular endothelial growth factor receptor 2 Ligand Cediranib... 8 38
Insulin-like growth factor 1 receptor Ligand AEW-541 Family 12 140
Receptor tyrosine-protein kinase erbB-2 Inhibitor TAK-285 Family 16 124
Adenosine receptor A3 Ligand CF101 Family 24 560
Corticotropin-releasing factor receptor 1 Ligand GW876008 Family 3 30
Adenosine receptor A2a Ligand MRE-0094 Family 10 108
SB1518 family 7 103
Hepatocyte growth factor receptor Ligand Amg 208 Family 20 236
RAF proto-oncogene serine/threonine-protein kinase Inhibitor R... 7 148
DNA Binder Bisbenzimide (hoechst 33258) Family 4 159
Peptide deformylase, mitochondrial Inhibitor Epiroprim Family 5 68
Tyrosine kinase Inhibitor PKI166 Family 17 198
Angiopoietin-1 receptor and Tyrosine-protein kinase Lck Inhibi... 3 64
Peptide deformylase, mitochondrial Inhibitor 8-(2,3,4-trimetho... 8 15
Methylated-DNA--protein-cysteine methyltransferase Inhibitor 6... 4 5
Cyclin-dependent kinase 2 and Cyclin-dependent kinase 9 Inhibi... 10 35
cGMP-inhibited 3',5'-cyclic phosphodiesterase A Inhibitor 7-et... 7 57
Cytochrome P450 2D6 and Cytochrome P450 3A4 Inhibitor 2-[3-(4-... 7 128
Adenosine receptor A1 and Adenosine receptor A2a Ligand GW-328... 26 94
Cyclin-dependent kinase 2 and Cyclin-dependent kinase 4 Inhibi... 19 48
Adenosine receptor A1 and Adenosine receptor A3 Ligand 2-(4-me... 3 23
Glycogen synthase kinase-3 beta and Mitogen-activated protein ... 8 8
Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-met... 21 57
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-[(4-... 15 9
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-(3''... 2 3
TGF-beta receptor type-1 Ligand SB-431542 Family 2 42
Leukotriene B4 receptor 1 Ligand Leucettamine A Family 2 0
Epidermal growth factor receptor Ligand 4-(5-bromoindole-3-yl)... 6 15
Corticotropin-releasing factor receptor 1 Ligand BMS-561388 Fa... 10 16
Serine/threonine-protein kinase mTOR Inhibitor (4-(6-morpholin... 2 11
Reverse transcriptase Inhibitor UK-129485 Family 23 221
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 17 49
Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5... 11 8
cGMP-specific 3',5'-cyclic phosphodiesterase Inhibitor SK&F-96... 5 83
Dual specificity mitogen-activated protein kinase kinase 1 inh... 10 54
Cyclin-dependent kinase 2 and Cyclin-dependent kinase 1 inhibi... 2 22
Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ... 6 35
Tyrosine-protein kinase Lck inhibitor 4-N-(2-chloro-6-methylph... 8 45
Serine/threonine-protein kinase B-raf inhibitor SureCN1015955 ... 17 18
Vascular endothelial growth factor receptor 2 and Angiopoietin... 2 11
Histamine H4 receptor ligand AGN-PC-07ZG9H family 4 4
Angiopoietin-1 receptor and Aurora kinase B ligand SureCN97387... 4 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 6 11
Proto-oncogene tyrosine-protein kinase Src and Cyclin-dependen... 2 1
3-phosphoinositide-dependent protein kinase 1 and Ribosomal pr... 10 4
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 9
Tyrosine-protein kinase Lck inhibitor AGN-PC-073GX8 family 12 1
Beta-1 adrenergic receptor and Beta-2 adrenergic receptor liga... 6 7
Mu-type opioid receptor and Kappa-type opioid receptor ligand ... 2 10
Lysine--tRNA ligase and Dual specificity protein kinase CLK4 i... 4 27
cGMP-inhibited 3',5'-cyclic phosphodiesterase B and cGMP-inhib... 39 10
cGMP-inhibited 3',5'-cyclic phosphodiesterase B and cGMP-inhib... 7 5
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor Su... 2 16
Cathepsin S and Cathepsin K inhibitor SureCN1629664 family 10 11
Proto-oncogene tyrosine-protein kinase Src and Tyrosine-protei... 12 8
Glucocorticoid receptor ligand (2R)-1,1,1-trifluoro-4-(2-metho... 2 5
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor SureCN6... 19 11
Dual specificity protein kinase CLK1 and Dual specificity prot... 2 14
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor SureCN6... 8 12
DNA-(apurinic or apyrimidinic site) lyase and Retinal dehydrog... 1 3
Dihydrofolate reductase and Bifunctional dihydrofolate reducta... 3 10
Cellular tumor antigen p53 inhibitor CHEMBL1401545 family 1 25
D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 3 14
Thyroid hormone receptor beta and Ferritin light chain ligand ... 1 35
Cellular tumor antigen p53 and Prelamin-A/C inhibitor CHEMBL14... 2 11
Dual specificity tyrosine-phosphorylation-regulated kinase 1A ... 3 20
D(3) dopamine receptor and D(2) dopamine receptor ligand SureC... 5 4
Bifunctional dihydrofolate reductase-thymidylate synthase and ... 6 13
Cellular tumor antigen p53 and Lysosomal alpha-glucosidase inh... 1 6
Epidermal growth factor receptor ligand Pyrimido[4,5-b]indole ... 1 4
D(4) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 3 6
Neuropeptide Y receptor type 5 ligand 3-[2-[6-[2-[(2-methylpro... 1 0
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor SureCN6... 2 4
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 2
Adenosine receptor A3 ligand AGN-PC-08WSLM family 5 22
Proto-oncogene tyrosine-protein kinase Src and Epidermal growt... 9 9
Proto-oncogene tyrosine-protein kinase Src inhibitor ethyl 2-[... 4 9
Melanin-concentrating hormone receptor 1 ligand SureCN3334861 ... 1 3
Calmodulin-domain protein kinase 1 and Tyrosine-protein kinase... 5 5
cAMP-specific 3',5'-cyclic phosphodiesterase 4D and cAMP-speci... 2 4
cAMP-specific 3',5'-cyclic phosphodiesterase 4D and cAMP-speci... 2 1
cAMP-specific 3',5'-cyclic phosphodiesterase 4D and cAMP-speci... 3 0
Melatonin receptor type 1B ligand CHEMBL1802020 family 2 7
Receptor-type tyrosine-protein kinase FLT3 and Mast/stem cell ... 2 2
Acyl-CoA desaturase 1 and Acyl-CoA desaturase inhibitor 2-[4-[... 2 6
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 4 0
Cathepsin K and Cathepsin L1 inhibitor CHEBI:43424 family 2 0
Corticotropin-releasing factor receptor 1 ligand Pyridopyrazin... 2 1
Histamine H1 receptor and Histamine H4 receptor ligand 1H-benz... 2 7
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 5 20
cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAM... 7 4
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 6 0
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 8 1
Tyrosine-protein kinase BTK and Tyrosine-protein kinase Lyn in... 5 7
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 8 2
Corticotropin-releasing factor receptor 1 and Corticotropin-re... 2 1
Hepatocyte growth factor receptor and Cytochrome P450 3A4 liga... 5 2
Interleukin-1 receptor-associated kinase 4 and Interleukin-1 r... 4 0
Macrophage colony-stimulating factor 1 receptor and Ephrin typ... 1 0
Vascular endothelial growth factor receptor 2 ligand AGN-PC-00... 8 1
Serine/threonine-protein kinase TBK1 and Inhibitor of nuclear ... 8 6
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 3 6
Dual specificity protein kinase TTK inhibitor 6-N-cyclohexyl-2... 12 2
Bifunctional dihydrofolate reductase-thymidylate synthase and ... 7 16
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 6 17
Activated CDC42 kinase 1 inhibitor 5-(2-fluorophenyl)-N-[[(2S)... 5 0
D(4) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 2 2
Adenosine receptor A2b and Adenosine receptor A1 ligand SureCN... 11 4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 3 0
Eukaryotic translation initiation factor 2-alpha kinase 3 inhi... 1 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 2 0
Nitric oxide synthase, inducible inhibitor SureCN5194847 family 24 48
Nitric oxide synthase, inducible inhibitor 2-[1-(2-imidazol-1-... 4 3
Nitric oxide synthase, inducible inhibitor N-(1,3-benzodioxol-... 11 1
CGMP-dependent protein kinase inhibitor 1-[2-(4-fluorophenyl)-... 1 4
Corticotropin-releasing factor receptor 1 and Corticotropin-re... 3 14
Aromatase inhibitor 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenyl... 2 8
Histone-arginine methyltransferase CARM1 inhibitor AGN-PC-00HE... 4 4
cGMP-dependent 3',5'-cyclic phosphodiesterase inhibitor SureCN... 4 0
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 5
Histamine H3 receptor and Sodium-dependent serotonin transport... 2 0
Cathepsin K and Cathepsin S inhibitor SureCN4135077 family 2 0
Melanin-concentrating hormone receptor 1 ligand (1S,3S)-3-N-(7... 2 2
Corticotropin-releasing factor receptor 1 and Corticotropin-re... 6 2
Mitogen-activated protein kinase 14 inhibitor SureCN4913214 fa... 1 2
Dihydrofolate reductase inhibitor AC1LAPW3 family 3 0
Bifunctional dihydrofolate reductase-thymidylate synthase inhi... 2 6
Platelet-activating factor receptor ligand AGN-PC-073L5I family 2 2
Corticotropin-releasing factor receptor 1 ligand AGN-PC-074EV8... 1 0
Dihydrofolate reductase inhibitor AGN-PC-001U7R family 3 0
Type-1 angiotensin II receptor ligand 2-ethyl-6-methoxy-N-[[4-... 2 0
Insulin-like growth factor 1 receptor ligand 3-[8-amino-1-(4-e... 9 0
Tyrosine-protein kinase Lck and Vascular endothelial growth fa... 1 0
cGMP-inhibited 3',5'-cyclic phosphodiesterase B and cGMP-inhib... 16 0
Cyclin-dependent kinase 1 inhibitor AGN-PC-075VQQ family 2 0
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 3 1
Platelet-activating factor receptor ligand AGN-PC-073L5J family 2 1
Adenosine receptor A3 and Adenosine receptor A1 ligand (2R,3R,... 1 0
Rho-associated protein kinase 2 inhibitor SureCN1519463 family 5 1
Cathepsin S and Cathepsin K inhibitor 2-cyano-pyrropyrimidine,... 4 1
Oxytocin receptor and Vasopressin V1a receptor ligand AGN-PC-0... 4 3
Tyrosine-protein kinase SYK and Tyrosine-protein kinase ZAP-70... 3 8
Nociceptin receptor and Delta-type opioid receptor ligand 2-[3... 2 1
Cathepsin S and Cathepsin K inhibitor AGN-PC-078ZDC family 4 2
Adenosine receptor A2a and Adenosine receptor A1 ligand SureCN... 3 5
Adenosine receptor A3 and Adenosine receptor A2a ligand (1R,2R... 2 0
Epidermal growth factor receptor ligand Pyrido[3,4-d]pyrimidin... 3 1
D(2) dopamine receptor ligand AGN-PC-07C1V6 family 2 3
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 2 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4D inhibitor Sure... 2 6
Tyrosine-protein kinase Lck and Vascular endothelial growth fa... 1 0
Adenosine receptor A1 and Adenosine receptor A2b ligand (2R,3R... 1 0
Bifunctional epoxide hydrolase 2 and Arachidonate 5-lipoxygena... 3 0
Nitric oxide synthase, inducible inhibitor SureCN6943121 family 6 4
Multidrug resistance-associated protein 1 inhibitor SureCN6823... 1 0
Cysteine protease and Cathepsin L1 inhibitor AGN-PC-076NDO family 1 0
DNA-(apurinic or apyrimidinic site) lyase and Survival motor n... 1 2
Aromatase inhibitor AGN-PC-0A9UOR family 1 0
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic ... 1 0
Neuropeptide Y receptor type 5 ligand 7-methoxy-2-methyl-6-phe... 1 1
Cyclin-dependent kinase 1 and G2/mitotic-specific cyclin-B1 in... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00215576 DNC002361 Investigative Drug PU3
CFAMM00215559 DNC003438 Investigative Drug 9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CFAMM00215571 DNC003441 Investigative Drug 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-

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
 

 

42899 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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