Target
Parathyroid hormone/parathyroid hormone-related peptide receptor
Ligand
BDBM50269972
Substrate
n/a
Meas. Tech.
ChEMBL_505703 (CHEMBL944465)
IC50
10130±n/a nM
Citation
 Carter, PHLiu, RQFoster, WRTamasi, JATebben, AJFavata, MStaal, ACvijic, MEFrench, MHDell, VApanovitch, DLei, MZhao, QCunningham, MDecicco, CPTrzaskos, JMFeyen, JH Discovery of a small molecule antagonist of the parathyroid hormone receptor by using an N-terminal parathyroid hormone peptide probe. Proc Natl Acad Sci U S A 104:6846-51 (2007) [PubMed]  Article 
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:
BDBM50269972
Synonyms:
Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Lys-Trp-Fly | CHEMBL505612
Type:
Small organic molecule
Emp. Form.:
C102H146N26O23S
Mol. Mass.:
2136.476
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:4.4,44.43,60.59,79.79,26.27,96.96,17.17,119.121,wD:105.105,2.2,35.34,52.51,91.92,22.22,70.70,8.13,(4.06,-29.82,;4.08,-31.37,;5.42,-32.14,;6.75,-31.37,;5.42,-33.68,;4.2,-34.58,;2.86,-33.87,;2.86,-32.31,;1.59,-34.73,;1.59,-36.27,;2.91,-37.04,;2.91,-38.57,;1.59,-39.36,;4.24,-39.35,;.37,-33.83,;-.98,-34.56,;-.98,-36.11,;-2.26,-33.69,;-2.26,-32.15,;-3.5,-34.58,;-4.83,-33.85,;-4.82,-32.3,;-6.12,-34.72,;-7.33,-33.82,;-8.68,-34.55,;-8.68,-36.1,;-9.96,-33.68,;-9.96,-32.14,;-11.17,-34.57,;-6.12,-36.27,;-4.78,-37.03,;-7.44,-37.03,;6.7,-34.55,;6.7,-36.1,;8.06,-33.82,;9.27,-34.71,;9.27,-36.25,;10.61,-37.02,;10.61,-38.56,;9.27,-39.33,;11.93,-39.33,;10.54,-33.84,;10.55,-32.29,;11.91,-34.57,;13.13,-33.67,;13.13,-32.13,;14.46,-31.35,;14.46,-29.81,;15.79,-32.13,;14.4,-34.54,;14.4,-36.08,;15.76,-33.81,;16.96,-34.7,;16.96,-36.24,;18.3,-37.02,;18.3,-38.55,;19.63,-39.32,;18.24,-33.83,;18.26,-32.29,;19.61,-34.56,;20.83,-33.67,;20.83,-32.13,;22.16,-31.35,;23.63,-31.85,;24.54,-30.61,;23.65,-29.35,;22.18,-29.81,;22.11,-34.54,;22.11,-36.09,;23.46,-33.81,;24.68,-34.7,;24.68,-36.25,;26.01,-37.02,;26.01,-38.55,;24.68,-39.33,;27.35,-39.32,;25.96,-33.84,;25.97,-32.29,;27.33,-34.57,;28.54,-33.67,;28.55,-32.13,;29.88,-31.36,;29.88,-29.82,;31.21,-29.05,;31.21,-27.52,;32.54,-26.76,;32.54,-25.23,;33.86,-27.52,;29.82,-34.54,;29.82,-36.09,;31.18,-33.82,;32.39,-34.71,;32.39,-36.25,;33.67,-33.84,;33.67,-32.29,;35.03,-34.57,;36.25,-33.68,;36.25,-32.14,;37.59,-31.36,;37.59,-29.82,;38.91,-29.06,;38.91,-27.52,;37.53,-34.55,;37.54,-36.09,;38.89,-33.81,;40.11,-34.7,;40.11,-36.24,;41.44,-37.02,;42.94,-36.68,;43.73,-37.99,;42.71,-39.16,;42.9,-40.68,;41.67,-41.6,;40.25,-41,;40.07,-39.48,;41.3,-38.55,;41.38,-33.83,;41.39,-32.29,;42.74,-34.56,;44.06,-33.78,;44.05,-32.25,;42.72,-31.49,;42.71,-29.96,;41.38,-29.2,;41.36,-27.67,;42.66,-26.88,;44,-27.62,;42.63,-25.35,;41.1,-25.38,;40.3,-24.07,;41.05,-22.73,;42.58,-22.7,;43.37,-24.02,;44.89,-24,;45.64,-22.65,;44.85,-21.34,;45.6,-20,;47.14,-19.98,;47.88,-18.64,;47.92,-21.28,;47.19,-22.63,;47.98,-23.95,;47.22,-25.3,;48.01,-26.61,;47.25,-27.95,;48.03,-29.27,;45.72,-27.97,;44.93,-26.65,;45.68,-25.32,;45.39,-34.54,;45.4,-36.07,;46.72,-33.77,)|
Structure:
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