Reaction Details |
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Target | Oxytocin receptor |
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Ligand | BDBM50179994 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1583335 (CHEMBL3816398) |
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Ki | 113±n/a nM |
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Citation | Sciabola, S; Goetz, GH; Bai, G; Rogers, BN; Gray, DL; Duplantier, A; Fonseca, KR; Vanase-Frawley, MA; Kablaoui, NM Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network. Bioorg Med Chem24:3513-20 (2016) [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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BDBM50179994 |
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n/a |
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Name | BDBM50179994 |
Synonyms: | CHEMBL3814126 |
Type | Small organic molecule |
Emp. Form. | C44H68N12O12S2 |
Mol. Mass. | 1021.214 |
SMILES | [H][C@@]1([C@@H](C)CC)N(C)C(=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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