CFam Chemical Families Database
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You are searching for "CFAMM00419626" in compound.

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CFAM Mol ID CFAMM00419626
Family CFFBM13004 Neurotensin receptor type 1 ligand (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-6-amino-2-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid family
Superfamily CFSBM5080 C-X-C chemokine receptor type 4 and Neurotensin receptor type 1 Binder Superfamily
Class CFCID687 Class 2037
External ID CHEMBL147498 External Source CHEMBL
PubChem CID 44363738 Functional Category Bioactive
Molecule Name 2-[[2-[[2-[acetyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]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-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Synonyms CHEBI:342443
InChi InChI=1S/C42H54FN11O7/c1-24(2)21-33(38(59)51-32(37(44)58)5-4-20-49-41(45)46)52-39(60)34(22-27-8-15-30(16-9-27)50-42(47)48)53-40(61)35(23-28-6-13-29(43)14-7-28)54(25(3)55)36(57)19-12-26-10-17-31(56)18-11-26/h6-19,24,32-35,56H,4-5,20-23H2,1-3H3,(H2,44,58)(H,51,59)(H,52,60)(H,53,61)(H4,45,46,49)(H4,47,48,50)/b19-12+
InChiKey OFPACJDBTDFRNN-XDHOZWIPSA-N
Formula C42H54FN11O7 Molecular Weight 843.95
Cross Link CHEMBL147498
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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National University of Singapore, Singapore


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