CFam Chemical Families Database
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You are searching for "CFAMM00424315" in compound.

Total 1 results found.

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 CFAMM00424315
Family CFFBM13797 Angiotensin-converting enzyme inhibitor (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-6-[(4-chloro-3-sulfamoylbenzoyl)amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid;hydrochloride family
Superfamily CFSBM6165 Carbonic anhydrase 1 and Carbonic anhydrase 2 Binder Superfamily 25
Class CFCAD304 Class 304
External ID CHEMBL2448082 External Source CHEMBL
PubChem CID 73351181 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-6-[(4-chloro-3-sulfamoylbenzoyl)amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid;hydrochloride
IUPAC Name (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-6-[(4-chloro-3-sulfamoylbenzoyl)amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid;hydrochloride
Synonyms
InChi InChI=1S/C34H39ClN4O8S.ClH/c35-27-15-14-25(20-30(27)48(36,46)47)32(42)37-17-7-6-12-28(38-29(34(44)45)16-13-22-8-2-1-3-9-22)33(43)39(21-31(40)41)26-18-23-10-4-5-11-24(23)19-26;/h1-5,8-11,14-15,20,26,28-29,38H,6-7,12-13,16-19,21H2,(H,37,42)(H,40,41)(H,44,45)(H2,36,46,47);1H/t28-,29-;/m0./s1
InChiKey BXEUTDLUDQQXLK-OCPPCWRMSA-N
Formula C34H40Cl2N4O8S Molecular Weight 735.67
Cross Link CHEMBL2448082
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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