CFam Chemical Families Database
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You are searching for "CFAMM00325146" 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 CFAMM00325146
Family CFFBM1568 Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor S-(3-pyridin-3-ylpropyl) (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate family
Superfamily CFSBM898 Voltage-dependent N-type calcium channel subunit alpha-1B and Prelamin-A/C Binder Superfamily
Class CFCAD64 Class 64
External ID CHEMBL200186 External Source CHEMBL
PubChem CID 10270647 Functional Category Bioactive
Molecule Name SureCN3164069
IUPAC Name (2S,4S)-1-[(2R)-2-amino-3-methyl-3-(pyridin-4-ylmethylsulfanyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile
Synonyms CHEBI:434767
InChi InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-3-5-20-6-4-11)14(19)15(22)21-9-12(17)7-13(21)8-18/h3-6,12-14H,7,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
InChiKey WKIVVGMCEPTKRP-MELADBBJSA-N
Formula C16H21FN4OS Molecular Weight 336.43
Cross Link CHEMBL200186
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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