CFam Chemical Families Database
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You are searching for "CFAMM00306734" in compound.

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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 CFAMM00306734
Family CFFBM74 Pol polyprotein inhibitor AC1LAD48 family
Superfamily CFSAD446 HIV-1 protease Inhibitor Atazanavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL331363 External Source CHEMBL
PubChem CID 44340359 Functional Category Bioactive
Molecule Name (2R)-N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanamide
IUPAC Name (2R)-N-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanamide
Synonyms CHEBI:283597
InChi InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-19-13-21-45-25-33)41(55)47-35(23-31-15-9-7-10-16-31)39(53)40(54)36(24-32-17-11-8-12-18-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-20-14-22-46-26-34/h7-22,25-26,29-30,35-40,53-54H,23-24,27-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38+,39+,40-/m0/s1
InChiKey BAFXFUOJGBYTOY-JIBQIMBESA-N
Formula C44H58N8O6 Molecular Weight 794.98
Cross Link CHEMBL331363
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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