CFam Chemical Families Database
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You are searching for "CFAMM00306733" in compound.

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CFAM Mol ID CFAMM00306733
Family CFFBM74 Pol polyprotein inhibitor AC1LAD48 family
Superfamily CFSAD446 HIV-1 protease Inhibitor Atazanavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL330474 External Source CHEMBL
PubChem CID 44327253 Functional Category Bioactive
Molecule Name (2R)-4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2R)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-4-oxobutanamide
IUPAC Name (2R)-4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2R)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-4-oxobutanamide
Synonyms CHEBI:254316
InChi InChI=1S/C37H55N5O5S/c1-48-25-32(41-36(46)28(22-26-10-4-2-5-11-26)24-34(44)42-20-17-29(38)18-21-42)37(47)40-31(23-27-12-6-3-7-13-27)35(45)33(43)16-15-30-14-8-9-19-39-30/h2,4-5,8-11,14,19,27-29,31-33,35,43,45H,3,6-7,12-13,15-18,20-25,38H2,1H3,(H,40,47)(H,41,46)/t28-,31+,32+,33+,35-/m1/s1
InChiKey CODOKNHEUZGLDK-JUPBFQDBSA-N
Formula C37H55N5O5S Molecular Weight 681.93
Cross Link CHEMBL330474
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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