Ki Summary

Reaction Details

Report a problem with these data

Target

Oxytocin receptor

Ligand

BDBM50177595

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_465438 (CHEMBL946022)

32±n/a nM

Citation

Liddle, J; Allen, MJ; Borthwick, AD; Brooks, DP; Davies, DE; Edwards, RM; Exall, AM; Hamlett, C; Irving, WR; Mason, AM; McCafferty, GP; Nerozzi, F; Peace, S; Philp, J; Pollard, D; Pullen, MA; Shabbir, SS; Sollis, SL; Westfall, TD; Woollard, PM; Wu, C; Hickey, DM The discovery of GSK221149A: a potent and selective oxytocin antagonist. Bioorg Med Chem Lett18:90-4 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Oxytocin receptor

Name:

Oxytocin receptor

Synonyms:

OT-R | OXTR | OXYR_HUMAN | Oxytocin

Type:

Enzyme Catalytic Domain

Mol. Mass.:

42793.26

Organism:

Homo sapiens (Human)

Description:

Oxytocin OXTR HEK293::B2R9L7

Residue:

389

Sequence:

MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACV
LLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVW
DANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGET
SASKKSNSSSFVLSHRSSSQRSCSQPSTA

BDBM50177595

n/a

Name

BDBM50177595

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

Type

Small organic molecule

Emp. Form.

C43H67N11O12S2

Mol. Mass.

994.189

SMILES

CCOc1ccc(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