CFam Chemical Families Database
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You are searching for "CFAMM00229773" in compound.

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CFAM Mol ID CFAMM00229773
Family CFFID1158 cAMP-dependent protein kinase type II-beta regulatory subunit and Protein kinase C eta type Inhibitor Balanol Family
Superfamily CFSID936 cAMP-dependent protein kinase type II-beta regulatory subunit and Protein kinase C eta type Inhibitor Balanol Superfamily
Class CFCID651 Class 2001
External ID DNC003686 External Source TTD
PubChem CID 5287736 Functional Category Investigative Drug
Molecule Name BALANOL
IUPAC Name 2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
Synonyms BA1;Azepinostatin;(-)-Balanol;(3R-trans)-Balanol;AC1NRA6W;SureCN62128;CHEMBL60254;MEGxm0_000504;ACon0_001438;MolPort-001-740-097
InChi InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
InChiKey XYUFCXJZFZPEJD-XMSQKQJNSA-N
Formula C28H26N2O10 Molecular Weight 550.51
Cross Link CHEMBL60254
Structure

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
 

 

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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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