CFam Chemical Families Database
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You are searching for "CFAMM00306972" in compound.

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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.

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CFAM Mol ID CFAMM00306972
Family CFFBM90 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor ligand SureCN6074181 family
Superfamily CFSBM62 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor Binder Superfamily
Class CFCCD67 Class 880
External ID CHEMBL35282 External Source CHEMBL
PubChem CID 10602703 Functional Category Bioactive
Molecule Name SureCN6074395
IUPAC Name (2S)-2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]-3-methylbutanoic acid
Synonyms CHEBI:148596
InChi InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1
InChiKey REDWDSXTDOSSPR-ZEQRLZLVSA-N
Formula C26H36N4O7S Molecular Weight 548.65
Cross Link CHEMBL35282
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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