Reaction Details |
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Target | Oxytocin receptor |
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Ligand | BDBM50205990 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1766403 (CHEMBL4201650) |
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EC50 | 0.700000±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 |
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
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BDBM50205990 |
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n/a |
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Name | BDBM50205990 |
Synonyms: | CHEMBL395429 | OXYTOCIN |
Type | Small organic molecule |
Emp. Form. | C43H66N12O12S2 |
Mol. Mass. | 1007.187 |
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| |
Structure |
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