CFam Chemical Families Database
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You are searching for "CFAMM00025235" in compound.

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CFAM Mol ID CFAMM00025235
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL323331 External Source CHEMBL
PubChem CID 44327659 Functional Category Bioactive
Molecule Name (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3,3-diphenyl-2-(propanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3,3-diphenyl-2-(propanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:255173
InChi InChI=1S/C51H67N7O10/c1-8-30(6)43(48(64)55-39(51(67)68)26-34-28-52-36-24-18-17-23-35(34)36)58-49(65)44(31(7)9-2)57-47(63)38(27-41(60)61)53-46(62)37(25-29(4)5)54-50(66)45(56-40(59)10-3)42(32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-24,28-31,37-39,42-45,52H,8-10,25-27H2,1-7H3,(H,53,62)(H,54,66)(H,55,64)(H,56,59)(H,57,63)(H,58,65)(H,60,61)(H,67,68)/t30-,31-,37-,38-,39-,43-,44-,45-/m0/s1
InChiKey ASPXCZHJJMKYNZ-LCHPGPOGSA-N
Formula C51H67N7O10 Molecular Weight 938.12
Cross Link CHEMBL323331
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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