CFam Chemical Families Database
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You are searching for "CFAMM00257644" in compound.

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CFAM Mol ID CFAMM00257644
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 CHEMBL2370648 External Source CHEMBL
PubChem CID 73347020 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-3-[4-(chloromethylamino)phenyl]-2-[[2-[[2-[[(2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoic acid
IUPAC Name (2S)-2-[[(2S)-3-[4-(chloromethylamino)phenyl]-2-[[2-[[2-[[(2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoic acid
Synonyms
InChi InChI=1S/C43H51ClN6O7/c1-29(2)21-37(43(56)57)49-41(54)36(22-30-13-17-34(18-14-30)47-28-44)48-40(53)25-45-39(52)24-46-42(55)38(23-31-15-19-35(51)20-16-31)50(26-32-9-5-3-6-10-32)27-33-11-7-4-8-12-33/h3-20,29,36-38,47,51H,21-28H2,1-2H3,(H,45,52)(H,46,55)(H,48,53)(H,49,54)(H,56,57)/t36-,37-,38-/m0/s1
InChiKey VQUCYAZTTZHAEO-QXUSSCGESA-N
Formula C43H51ClN6O7 Molecular Weight 799.35
Cross Link CHEMBL2370648
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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