CFam Chemical Families Database
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You are searching for "CFAMM00017376" in compound.

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CFAM Mol ID CFAMM00017376
Family CFFAD87 Gonadotropin-releasing hormone receptor Ligand decapeptide analog Cetrorelix Family
Superfamily CFSAD85 Gonadotropin-releasing hormone receptor Ligand Cetrorelix Superfamily
Class CFCAD85 Class 85
External ID CHEMBL266716 External Source CHEMBL
PubChem CID 44356497 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]-5-(diaminomethylideneamino)pentanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]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]-5-(diaminomethylideneamino)pentanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Synonyms CHEBI:324108
InChi InChI=1S/C69H92ClN19O12/c1-39(2)30-51(60(94)83-50(17-10-28-79-69(74)75)67(101)89-29-11-18-57(89)66(100)80-40(3)58(71)92)84-63(97)54(34-44-12-7-25-76-36-44)85-59(93)49(16-9-27-78-68(72)73)82-65(99)56(38-90)88-64(98)55(35-45-13-8-26-77-37-45)87-62(96)53(32-42-20-23-48(70)24-21-42)86-61(95)52(81-41(4)91)33-43-19-22-46-14-5-6-15-47(46)31-43/h5-8,12-15,19-26,31,36-37,39-40,49-57,90H,9-11,16-18,27-30,32-35,38H2,1-4H3,(H2,71,92)(H,80,100)(H,81,91)(H,82,99)(H,83,94)(H,84,97)(H,85,93)(H,86,95)(H,87,96)(H,88,98)(H4,72,73,78)(H4,74,75,79)/t40-,49-,50-,51-,52+,53-,54-,55+,56-,57+/m0/s1
InChiKey MLXDZUPLRMQSLF-XXRCQXABSA-N
Formula C69H92ClN19O12 Molecular Weight 1415.04
Cross Link CHEMBL266716
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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