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TargetOxytocin receptor
LigandBDBM50177595
Substrate/Competitorn/a
Meas. Tech.ChEMBL_326537
Ki 27±n/a nM
Citation Quattropani ADorbais JCovini DPittet PAColovray VThomas RJCoxhead RHalazy SScheer AMissotten MAyala GBradshaw CDe Raemy-Schenk AMNichols ACirillo RTos EGGiachetti CGolzio LMarinelli PChurch DJBarberis CChollet ASchwarz MK Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. J Med Chem 48:7882-905 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Oxytocin receptor
Name:Oxytocin receptor
Synonyms:OT-R | Oxytocin
Type:Enzyme Catalytic Domain
Mol. Mass.:42793.26
Organism:HEK293
Description:Oxytocin OXTR HEK293::B2R9L7
Residue:389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACV
LLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVW
DANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGET
SASKKSNSSSFVLSHRSSSQRSCSQPSTA
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  Blast E-value cutoff:
BDBM50177595
n/a
NameBDBM50177595
Synonyms:(2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide | Atosiban | CHEMBL382301 | ChEMBL_332615
TypeSmall organic molecule
Emp. Form.C43H67N11O12S2
Mol. Mass.994.189
SMILESCCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r|
Structure
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