Reaction Details | |||
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Report a problem with these data | |||
Target | Oxytocin receptor | ||
Ligand | BDBM81895 | ||
Substrate/Competitor | n/a | ||
Ki | 12±n/a nM | ||
Comments | PDSP_1038 | ||
Citation | Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF In vitro pharmacological profile of a novel structural class of oxytocin antagonists. J Pharmacol Exp Ther256:304-8 (1991) [PubMed] | ||
More Info.: | Get all data from this article | ||
Oxytocin receptor | |||
Name: | Oxytocin receptor | ||
Synonyms: | OXTR | OXYR_MACMU | Oxytocin | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 42932.85 | ||
Organism: | Rhesus | ||
Description: | Oxytocin OXTR Rhesus::P56494 | ||
Residue: | 389 | ||
Sequence: |
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BDBM81895 | |||
n/a | |||
Name | BDBM81895 | ||
Synonyms: | Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-didehydro-L-Pyz-N-methyl-L-Phe-] | J325.338D | L-365,209 | ||
Type | Small organic molecule | ||
Emp. Form. | C40H50N8O6 | ||
Mol. Mass. | 738.875 | ||
SMILES | CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| | ||
Structure |