CFAM Mol ID	CFAMM00247133
Family	CFFID1696 Gonadotropin-releasing hormone receptor Ligand Azaline B Family
Superfamily	CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class	CFCCD167 Class 980
External ID	CHEMBL2370814	External Source	CHEMBL
PubChem CID	73350121	Functional Category	Bioactive
Molecule Name	(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[2-(ethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
IUPAC Name	(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[2-(ethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
Synonyms
InChi	InChI=1S/C75H108ClN23O12/c1-7-80-62(102)42-84-70(110)61-24-17-35-99(61)71(111)55(23-12-13-32-81-45(4)5)88-65(105)56(36-44(2)3)89-64(104)54(22-11-15-34-83-75-94-73(78)96-98-75)86-63(103)53(21-10-14-33-82-74-93-72(77)95-97-74)87-69(109)60(43-100)92-68(108)59(40-49-18-16-31-79-41-49)91-67(107)58(38-47-26-29-52(76)30-27-47)90-66(106)57(85-46(6)101)39-48-25-28-50-19-8-9-20-51(50)37-48/h8-9,16,18-20,25-31,37,41,44-45,53-61,81,100H,7,10-15,17,21-24,32-36,38-40,42-43H2,1-6H3,(H,80,102)(H,84,110)(H,85,101)(H,86,103)(H,87,109)(H,88,105)(H,89,104)(H,90,106)(H,91,107)(H,92,108)(H4,77,82,93,95,97)(H4,78,83,94,96,98)/t53-,54-,55-,56-,57+,58-,59+,60-,61+/m0/s1
InChiKey	UAIAWSKPOHEZLS-LNELXCANSA-N
Formula	C75H108ClN23O12	Molecular Weight	1559.26
Cross Link	CHEMBL2370814
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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