| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Oxytocin receptor |
|---|
| Ligand | BDBM50177595 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_326541 (CHEMBL863361) |
|---|
| Ki | 76±n/a nM |
|---|
| Citation |  Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. J Med Chem48:7882-905 (2005) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Oxytocin receptor |
|---|
| 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: | MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACV
LLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWD
VNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETS
VSKKSNSSTFVLSRRSSSQRSCSQPSSA
|
|
|
|---|
| 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 | 
|
|---|
Search and Browse
