| Reaction Details |
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 | Report a problem with these data |
| Target | Oxytocin receptor |
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| Ligand | BDBM50177593 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1766347 (CHEMBL4201594) |
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| IC50 | 55±n/a nM |
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| Citation |  Frantz, MC; Pellissier, LP; Pflimlin, E; Loison, S; Gandía, J; Marsol, C; Durroux, T; Mouillac, B; Becker, JAJ; Le Merrer, J; Valencia, C; Villa, P; Bonnet, D; Hibert, M LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. J Med Chem61:8670-8692 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Oxytocin receptor |
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| Name: | Oxytocin receptor |
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| Synonyms: | OT-R | OXYR_RAT | Otr | Oxtr | Oxytocin |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 42889.28 |
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| Organism: | RAT |
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| Description: | Oxytocin OXTR RAT::P70536 |
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| Residue: | 388 |
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| Sequence: | MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACV
LLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWD
VNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETS
VSKKSNSSTFVLSRRSSSQRSCSQPSSA
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| BDBM50177593 |
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| n/a |
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| Name | BDBM50177593 |
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| Synonyms: | (5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-[2-chloro-4-(3-methyl-pyrazol-1-yl)-phenyl]-methanone | (5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(11H)-yl)(2-chloro-4-(3-methyl-1H-pyrazol-1-yl)phenyl)methanone | CHEMBL363910 | VNA-932 | WAY-VNA-932 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H19ClN4O |
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| Mol. Mass. | 402.876 |
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| SMILES | Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 |
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| Structure | 
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