Target
Oxytocin receptor
Ligand
BDBM50013775
Substrate
n/a
Ki
0.89±n/a nM
Comments
PDSP_1429
Citation
 Tahara, ATomura, YWada, KIKusayama, TTsukada, JTakanashi, MYatsu, TUchida, WTanaka, A Pharmacological profile of YM087, a novel potent nonpeptide vasopressin V1A and V2 receptor antagonist, in vitro and in vivo. J Pharmacol Exp Ther 282:301-8 (1997) [PubMed] 
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXYR_RAT | Otr | Oxtr | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42889.28
Organism:
RAT
Description:
Oxytocin OXTR RAT::P70536
Residue:
388
Sequence:
MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
  
Inhibitor
Name:
BDBM50013775
Synonyms:
(oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-NH2 | 1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide | 1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide(Oxytocin) | 1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amidec-[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-NH2 | CHEMBL265640 | Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly-NH2 | OXYTOCIN
Type:
Small organic molecule
Emp. Form.:
C43H66N12O12S2
Mol. Mass.:
1007.187
SMILES:
CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Structure:
Search PDB for entries with ligand similarity: