CFam Chemical Families Database
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You are searching for "CFAMM00257668" in compound.

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CFAM Mol ID CFAMM00257668
Family CFFID2033 Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-ile-phe(4-no2)-lys-tyr-phe(4-no2) Family
Superfamily CFSID1524 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 4
Class CFCAD18 Class 18
External ID CHEMBL2387212 External Source CHEMBL
PubChem CID 71624409 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N'-[2-oxo-2-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)ethyl]pentanediamide
IUPAC Name (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N'-[2-oxo-2-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)ethyl]pentanediamide
Synonyms
InChi InChI=1S/C59H79N11O10/c1-37(2)52(58(79)63-35-49(61)72)68-59(80)53(38(3)4)67-56(77)47(65-57(78)48(34-41-17-11-7-12-18-41)66-54(75)39(5)64-55(76)46(60)33-42-21-23-45(71)24-22-42)25-26-50(73)62-36-51(74)70(43-19-13-8-14-20-43)44-28-31-69(32-29-44)30-27-40-15-9-6-10-16-40/h6-24,37-39,44,46-48,52-53,71H,25-36,60H2,1-5H3,(H2,61,72)(H,62,73)(H,63,79)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,80)/t39-,46+,47+,48+,52+,53+/m1/s1
InChiKey ONBTXPSIQFFZPI-FBYZWIEBSA-N
Formula C59H79N11O10 Molecular Weight 1102.33
Cross Link CHEMBL2387212
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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