CFam Chemical Families Database
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You are searching for "CFAMM00303738" 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 CFAMM00303738
Family CFFID4179 Bombesin receptor subtype-3 and Gastrin-releasing peptide receptor Ligand [(n4-bzdig)0]bb(7-14) Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL407098 External Source CHEMBL
PubChem CID 44285417 Functional Category Bioactive
Molecule Name (4R,7R,10S,13R,16S,19S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-2-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyclohenicosane-4-carboxamide
IUPAC Name (4R,7R,10S,13R,16S,19S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-2-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyclohenicosane-4-carboxamide
Synonyms CHEBI:155716
InChi InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-51(76)41-28-78-77-22-18-37(61-45(70)34(53)23-30-11-4-2-5-12-30)47(72)65-40(26-42-57-20-21-58-42)50(75)63-38(24-31-13-6-3-7-14-31)48(73)62-36(17-10-19-59-52(55)56)46(71)64-39(49(74)66-41)25-32-27-60-35-16-9-8-15-33(32)35/h2-9,11-16,20-21,27,29,34,36-41,43,60,68H,10,17-19,22-26,28,53H2,1H3,(H2,54,69)(H,57,58)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H,66,74)(H,67,76)(H4,55,56,59)/t29-,34-,36+,37+,38-,39-,40+,41+,43+/m1/s1
InChiKey BZDZZDYEIZSVNL-XJUKQGPFSA-N
Formula C52H67N15O9S2 Molecular Weight 1110.31
Cross Link CHEMBL407098
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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