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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