CFam Chemical Families Database
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You are searching for "CFAMM00471052" in compound.

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CFAM Mol ID CFAMM00471052
Family CFFBM24689 Signal transducer and activator of transcription 3 inhibitor [4-[(E)-4-[[(2S)-1-[(1R,2S,5S)-2-[[(2R)-5-amino-5-oxopentan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate family
Superfamily CFSBM6718 Signal transducer and activator of transcription 3 Binder Superfamily 2
Class CFCBM2088 Class 5138
External ID CHEMBL576590 External Source CHEMBL
PubChem CID 44473995 Functional Category Bioactive
Molecule Name 2-[[(2S)-1-[(2S)-4-methyl-2-[[(E)-3-(4-phosphonooxyphenyl)prop-2-enoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]ethyl carbamate
IUPAC Name 2-[[(2S)-1-[(2S)-4-methyl-2-[[(E)-3-(4-phosphonooxyphenyl)prop-2-enoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]ethyl carbamate
Synonyms CHEBI:672896
InChi InChI=1S/C23H33N4O9P/c1-15(2)14-18(22(30)27-12-3-4-19(27)21(29)25-11-13-35-23(24)31)26-20(28)10-7-16-5-8-17(9-6-16)36-37(32,33)34/h5-10,15,18-19H,3-4,11-14H2,1-2H3,(H2,24,31)(H,25,29)(H,26,28)(H2,32,33,34)/b10-7+/t18-,19-/m0/s1
InChiKey PDUKFPGOWQTJGR-RJHNKFTKSA-N
Formula C23H33N4O9P Molecular Weight 540.50
Cross Link CHEMBL576590
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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