CFam Chemical Families Database
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You are searching for "CFAMM00303714" 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 CFAMM00303714
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 CHEMBL1689465 External Source CHEMBL
PubChem CID 53324106 Functional Category Bioactive
Molecule Name CHEMBL1689465
IUPAC Name
Synonyms CHEBI:1178028
InChi InChI=1S/C102H144N24O26S2/c1-53(2)40-74-102(151)125-38-21-28-77(125)97(146)116-71(43-64-47-105-52-108-64)91(140)118-75(95(144)111-68(27-18-20-37-106-58(10)128)89(138)121-84(54(3)4)98(147)112-67(26-17-19-36-103)88(137)120-80(132)49-152-48-79(131)110-63-32-29-60(30-33-63)31-34-81(133)126-39-35-82(126)134)50-153-154-51-76(119-99(148)85(55(5)6)122-94(143)73(45-83(135)136)115-90(139)69(109-59(11)129)41-61-22-13-12-14-23-61)96(145)114-72(44-78(104)130)92(141)113-70(42-62-46-107-66-25-16-15-24-65(62)66)93(142)123-86(56(7)8)100(149)124-87(57(9)127)101(150)117-74/h12-16,22-25,29-30,32-33,46-47,52-57,67-77,84-87,107,127H,17-21,26-28,31,34-45,48-51,103H2,1-11H3,(H2,104,130)(H,105,108)(H,106,128)(H,109,129)(H,110,131)(H,111,144)(H,112,147)(H,113,141)(H,114,145)(H,115,139)(H,116,146)(H,117,150)(H,118,140)(H,119,148)(H,121,138)(H,122,143)(H,123,142)(H,124,149)(H,135,136)(H,120,132,137)/t57-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,84+,85+,86+,87+/m1/s1
InChiKey QZBYJBLPYNMHBH-DRRMWKONSA-N
Formula C102H144N24O26S2 Molecular Weight 2186.51
Cross Link CHEMBL1689465
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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