| Reaction Details |
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 | Report a problem with these data |
| Target | Oxytocin receptor |
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| Ligand | BDBM50459400 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1766372 (CHEMBL4201619) |
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| Ki | 61±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 | OXTR | OXYR_HUMAN | Oxytocin |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 42793.26 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Oxytocin OXTR HEK293::B2R9L7 |
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| Residue: | 389 |
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| Sequence: | MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACV
LLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVW
DANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGET
SASKKSNSSSFVLSHRSSSQRSCSQPSTA
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| BDBM50459400 |
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| n/a |
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| Name | BDBM50459400 |
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| Synonyms: | CHEMBL4217872 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H29N7O2S |
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| Mol. Mass. | 491.608 |
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| SMILES | CN(C)C(=S)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 |
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| Structure | 
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