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Target
Parathyroid hormone/parathyroid hormone-related peptide receptor
Ligand
BDBM50600479
Substrate
n/a
Meas. Tech.
ChEMBL_2234293 (CHEMBL5148065)
IC50
40±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:
BDBM50600479
Synonyms:
CHEMBL5171680
Type:
Small organic molecule
Emp. Form.:
C32H34Cl2N4O3
Mol. Mass.:
593.543
SMILES:
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(CN[C@H]3CC[C@H](CC3)C(O)=O)C2)C1=O |r,wU:29.31,32.38,(3.5,-4,;2.01,-3.61,;3.1,-2.52,;1.35,-5,;2.4,-6.12,;1.96,-7.6,;.46,-7.96,;.06,-9.45,;-.6,-6.84,;-.16,-5.35,;-1.38,-4.39,;-2.7,-5.16,;-4.04,-4.4,;-4.04,-2.85,;-5.37,-2.08,;-2.71,-2.08,;-1.38,-2.85,;-.18,-1.89,;-.58,-.4,;-2.06,0,;-2.46,1.48,;-1.37,2.57,;.11,2.18,;.52,.7,;-1.77,4.06,;-1,5.4,;-2.36,6.18,;-2.75,7.67,;-1.67,8.75,;-.18,8.36,;.91,9.45,;2.4,9.05,;2.8,7.56,;1.71,6.47,;.22,6.87,;4.28,7.16,;5.37,8.25,;4.68,5.67,;-3.13,4.84,;1.32,-2.21,;2.41,-1.13,)|
Structure:
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