CFam Chemical Families Database
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You are searching for "CFAMM00317402" 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.

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CFAM Mol ID CFAMM00317402
Family CFFBM923 Renin and Cathepsin D inhibitor tert-butyl N-[(2R)-1-[[3-[[(2R,3S)-5-[[(2S,3S)-1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSBM528 Renin and C-C chemokine receptor type 5 Binder Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL1791135 External Source CHEMBL
PubChem CID 56678327 Functional Category Bioactive
Molecule Name [(2S)-1-[[(2S,3S)-5-[[(2R,3S)-1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-1-oxohexan-2-yl]oxy-(3-phenylpropyl)phosphinic acid
IUPAC Name [(2S)-1-[[(2S,3S)-5-[[(2R,3S)-1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-1-oxohexan-2-yl]oxy-(3-phenylpropyl)phosphinic acid
Synonyms
InChi InChI=1S/C38H61N6O7P/c1-5-7-20-33(51-52(49,50)21-14-19-28-15-10-8-11-16-28)37(47)43-31(22-29-17-12-9-13-18-29)32(45)23-34(46)44-35(26(3)6-2)38(48)41-25-30-24-40-27(4)42-36(30)39/h8,10-11,15-16,24,26,29,31-33,35,45H,5-7,9,12-14,17-23,25H2,1-4H3,(H,41,48)(H,43,47)(H,44,46)(H,49,50)(H2,39,40,42)/t26-,31-,32-,33-,35+/m0/s1
InChiKey KFDDSLXXEXBNTO-NLVSJJSZSA-N
Formula C38H61N6O7P Molecular Weight 744.90
Cross Link CHEMBL1791135
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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