CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00025105" 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.

Search Results

CFAM Mol ID CFAMM00025105
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL1098671 External Source CHEMBL
PubChem CID 46236814 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
IUPAC Name N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Synonyms CHEBI:728425
InChi InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28-,29-,31-/m0/s1
InChiKey RAZZBARIWRCYLK-KECWCRPSSA-N
Formula C34H39N5O5 Molecular Weight 597.70
Cross Link CHEMBL1098671
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
 

 

70838 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00025105'),None, txtsearch, CFAMM00025105|