CFam Chemical Families Database
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You are searching for "CFAMM00429376" in compound.

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CFAM Mol ID CFAMM00429376
Family CFFBM14620 Proteinase-activated receptor 1 ligand 2-[[2-[[2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide family
Superfamily CFSBM748 Furin and Trypsin-1 Binder Superfamily
Class CFCID1444 Class 2794
External ID CHEMBL611206 External Source CHEMBL
PubChem CID 46931075 Functional Category Bioactive
Molecule Name 2-[[2-[[2-[acetyl-(2-phenylsulfanylacetyl)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
IUPAC Name 2-[[2-[[2-[acetyl-(2-phenylsulfanylacetyl)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Synonyms AGN-PC-0808QY;2-[[2-[[2-[acetyl-(2-phenylsulfanylacetyl)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
InChi InChI=1S/C41H54FN11O6S/c1-24(2)20-32(37(57)50-31(36(43)56)10-7-19-48-40(44)45)51-38(58)33(21-26-13-17-29(18-14-26)49-41(46)47)52-39(59)34(22-27-11-15-28(42)16-12-27)53(25(3)54)35(55)23-60-30-8-5-4-6-9-30/h4-6,8-9,11-18,24,31-34H,7,10,19-23H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)
InChiKey FBIHQPGILFXUBP-UHFFFAOYSA-N
Formula C41H54FN11O6S Molecular Weight 848.00
Cross Link CHEMBL611206
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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