CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00177901" 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 CFAMM00177901
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL28273 External Source CHEMBL
PubChem CID 44275461 Functional Category Bioactive
Molecule Name 2-[[2-benzyl-3-[hydroxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]hexanoic acid
IUPAC Name 2-[[2-benzyl-3-[hydroxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]hexanoic acid
Synonyms CHEBI:134025
InChi InChI=1S/C32H39N2O7P/c1-2-3-19-28(31(36)37)33-30(35)27(20-24-13-7-4-8-14-24)23-42(39,40)29(21-25-15-9-5-10-16-25)34-32(38)41-22-26-17-11-6-12-18-26/h4-18,27-29H,2-3,19-23H2,1H3,(H,33,35)(H,34,38)(H,36,37)(H,39,40)/t27?,28?,29-/m1/s1
InChiKey AWDVWUQBYLGBCA-BVDFDZHASA-N
Formula C32H39N2O7P Molecular Weight 594.64
Cross Link CHEMBL28273
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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