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Target
Parathyroid hormone/parathyroid hormone-related peptide receptor
Ligand
BDBM50600484
Substrate
n/a
Meas. Tech.
ChEMBL_2234293 (CHEMBL5148065)
IC50
170±n/a nM
Citation
 Arai, Y; Kiyotsuka, Y; Nagamochi, M; Oyama, K; Izumi, M Lead optimization of pyrido[2,3-d][1]benzazepin-6-one derivatives leading to the discovery of a potent, selective, and orally available human parathyroid hormone receptor 1 (hPTHR1) antagonist (DS69910557). Bioorg Med Chem 64:0 (2022) [PubMed] 
Target
Name:
Parathyroid hormone/parathyroid hormone-related peptide receptor
Synonyms:
PTH/PTHr receptor | PTH/PTHrP type I receptor | PTH1 receptor | PTH1R | PTH1R_HUMAN | PTHR | PTHR1 | Parathyroid hormone 1 receptor | Parathyroid hormone receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66370.95
Organism:
Homo sapiens (Human)
Description:
PARATHYROID HT1 0 HUMAN::Q03431
Residue:
593
Sequence:
MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
  
Inhibitor
Name:
BDBM50600484
Synonyms:
CHEMBL5171324
Type:
Small organic molecule
Emp. Form.:
C33H35Cl2FN4O3
Mol. Mass.:
625.56
SMILES:
C[C@]1(CC[C@@H](CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O)C(O)=O |r,wU:4.7,1.45,(4.63,5.09,;3.14,5.49,;3.54,6.98,;2.45,8.07,;.96,7.67,;.57,6.18,;1.65,5.09,;-.12,8.76,;-1.61,8.36,;-2.01,6.87,;-3.35,7.64,;-.66,6.08,;-1.43,4.75,;-2.78,5.53,;-1.03,3.26,;-2.12,2.17,;-1.72,.69,;-.23,.29,;.86,1.38,;.45,2.87,;.17,-1.2,;-1.03,-2.16,;-2.36,-1.39,;-3.69,-2.16,;-5.03,-1.39,;-3.69,-3.71,;-2.36,-4.47,;-1.03,-3.7,;.19,-4.66,;-.26,-6.15,;.81,-7.27,;.41,-8.76,;2.3,-6.91,;2.75,-5.43,;1.69,-4.31,;2.35,-2.92,;3.84,-3.32,;3.44,-1.83,;1.67,-1.53,;2.76,-.44,;3.54,4,;5.03,3.6,;2.45,2.91,)|
Structure:
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