CFam Chemical Families Database
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You are searching for "CFAMM00436224" in compound.

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CFAM Mol ID CFAMM00436224
Family CFFBM15872 Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-[[(2R)-2-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoate family
Superfamily CFSBM3939 Carbonic anhydrase 1 and Carbonic anhydrase 2 Binder Superfamily 17
Class CFCID835 Class 2185
External ID CHEMBL91696 External Source CHEMBL
PubChem CID 44325409 Functional Category Bioactive
Molecule Name tert-butyl (2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoyl]amino]hexanoate
IUPAC Name tert-butyl (2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoyl]amino]hexanoate
Synonyms CHEBI:250150
InChi InChI=1S/C33H46N6O6S/c1-23-12-14-25(15-13-23)46(43,44)39-19-17-38(18-20-39)32(42)37-29(21-24-22-35-27-10-6-5-9-26(24)27)30(40)36-28(11-7-8-16-34)31(41)45-33(2,3)4/h5-6,9-10,12-15,22,28-29,35H,7-8,11,16-21,34H2,1-4H3,(H,36,40)(H,37,42)/t28-,29+/m0/s1
InChiKey KSVPPPPQZURBAT-URLMMPGGSA-N
Formula C33H46N6O6S Molecular Weight 654.82
Cross Link CHEMBL91696
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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