CFam Chemical Families Database
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You are searching for "CFAMM00267238" 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 CFAMM00267238
Family CFFID2386 C-X-C chemokine receptor type 4 Ligand Cyclo(-d-tyr-l-ala-l-arg-l-nal-gly-) Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL372874 External Source CHEMBL
PubChem CID 5278970 Functional Category Bioactive
Molecule Name AC1NQU0Y
IUPAC Name 2-[3-[(3R,9S,12S,15S,17S)-17-(diaminomethylideneamino)-3-[(4-hydroxyphenyl)methyl]-9-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-12-yl]propyl]guanidine
Synonyms CHEBI:421447;FC383;Cyclo (-Nal-Gly-D-Tyr-cis-4-guanidino-Pro-Arg-);2-[3-[(3R,9S,12S,15S,17S)-17-(diaminomethylideneamino)-3-[(4-hydroxyphenyl)methyl]-9-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-12-yl]propyl]guanidine
InChi InChI=1S/C36H45N11O6/c37-35(38)41-13-3-6-26-32(51)46-27(16-21-7-10-22-4-1-2-5-23(22)14-21)31(50)42-18-30(49)44-28(15-20-8-11-25(48)12-9-20)34(53)47-19-24(43-36(39)40)17-29(47)33(52)45-26/h1-2,4-5,7-12,14,24,26-29,48H,3,6,13,15-19H2,(H,42,50)(H,44,49)(H,45,52)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t24-,26-,27-,28+,29-/m0/s1
InChiKey LJEYFXLNHZFXCI-WJCXGNHWSA-N
Formula C36H45N11O6 Molecular Weight 727.81
Cross Link CHEMBL372874
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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