CFam Chemical Families Database
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You are searching for "CFAMM00257639" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00257639
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 DNC006630 External Source TTD
PubChem CID 44412036 Functional Category Investigative Drug
Molecule Name Ac-Cys-Ile-Phe(4-NO2)-Lys-Phe(4-NO2)-Tyr
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Synonyms DNC006630;Ac-Cys-Ile-Phe(4-NO2)-Lys-Phe(4-NO2)-Tyr
InChi InChI=1S/C44H57N9O13S/c1-4-25(2)38(51-42(59)37(24-67)46-26(3)54)43(60)49-35(22-28-10-16-31(17-11-28)53(65)66)40(57)47-33(7-5-6-20-45)39(56)48-34(21-27-8-14-30(15-9-27)52(63)64)41(58)50-36(44(61)62)23-29-12-18-32(55)19-13-29/h8-19,25,33-38,55,67H,4-7,20-24,45H2,1-3H3,(H,46,54)(H,47,57)(H,48,56)(H,49,60)(H,50,58)(H,51,59)(H,61,62)/t25?,33-,34-,35-,36-,37-,38-/m0/s1
InChiKey BQZNGWRLXCQNSI-LBNFHWTGSA-N
Formula C44H57N9O13S Molecular Weight 952.04
Cross Link
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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