CFam Chemical Families Database
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You are searching for "CFAMM00220004" 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 CFAMM00220004
Family CFFID855 Cathepsin F and Cruzipain Inhibitor WRR-99 Family
Superfamily CFSID699 Cathepsin F and Cruzipain Inhibitor WRR-99 Superfamily
Class CFCID492 Class 1842
External ID CHEMBL279563 External Source CHEMBL
PubChem CID 13384540 Functional Category Bioactive
Molecule Name AGN-PC-00M8CK
IUPAC Name methyl 4-[2-[[4-[[2-[[2-(1-adamantyloxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3-hydroxy-6-methylheptanoate
Synonyms CHEBI:116739;methyl 4-[2-[[4-[[2-[[2-(1-adamantyloxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3-hydroxy-6-methylheptanoate
InChi InChI=1S/C49H71N5O10/c1-29(2)17-37(41(55)24-43(57)50-31(5)45(59)51-38(18-30(3)4)42(56)25-44(58)63-6)52-46(60)39(22-32-13-9-7-10-14-32)53-47(61)40(23-33-15-11-8-12-16-33)54-48(62)64-49-26-34-19-35(27-49)21-36(20-34)28-49/h7-16,29-31,34-42,55-56H,17-28H2,1-6H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)
InChiKey LOGPOWZDQKSNSA-UHFFFAOYSA-N
Formula C49H71N5O10 Molecular Weight 890.12
Cross Link CHEMBL279563
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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