CFam Chemical Families Database
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You are searching for "CFAMM00451053" 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 CFAMM00451053
Family CFFBM19222 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha and Protein farnesyltransferase subunit beta inhibitor (2S)-2-[[(2S,4S)-1-[(5R)-5-amino-6-sulfanylhexanoyl]-4-phenoxypyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid family
Superfamily CFSAD650 Penicillin binding protein Inhibitor Penicillin V Superfamily
Class CFCAD589 Class 589
External ID CHEMBL441623 External Source CHEMBL
PubChem CID 57402340 Functional Category Bioactive
Molecule Name AGN-PC-074EBO
IUPAC Name 2-[[1-(4-amino-5-sulfanylpent-2-enyl)-4-naphthalen-1-yloxypyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
Synonyms (2S)-2-[[(2S,4S)-1-[(4R)-4-amino-5-sulfanylpent-2-enyl]-4-naphthalen-1-yloxypyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
InChi InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)
InChiKey OYAVWPGJVMCYBE-UHFFFAOYSA-N
Formula C29H35F6N3O8S2 Molecular Weight 731.72
Cross Link CHEMBL441623
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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