Reaction Details  Report a problem with these data
Target
Parathyroid hormone/parathyroid hormone-related peptide receptor
Ligand
BDBM50331021
Substrate
n/a
Meas. Tech.
ChEMBL_684759 (CHEMBL1285786)
EC50
0.2±n/a nM
Citation
 Caporale, A; Sturlese, M; Gesiot, L; Zanta, F; Wittelsberger, A; Cabrele, C Side chain cyclization based on serine residues: synthesis, structure, and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11. J Med Chem 53:8072-9 (2010) [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:
BDBM50331021
Synonyms:
(S)-5-((2S,3S)-1-((3S,6S,9S,12S,15S)-6-((1H-imidazol-5-yl)methyl)-3-((S)-1-amino-6-guanidino-1-oxohexan-2-ylcarbamoyl)-9-butyl-12-isobutyl-5,8,11,14,18,23-hexaoxo-1,17-dioxa-4,7,10,13-tetraazacyclotricosan-15-ylamino)-3-methyl-1-oxopentan-2-ylamino)-4-(2-((S)-2-(2-amino-2-methylpropanamido)-3-methylbutanamido)-2-methylpropanamido)-5-oxopentanoic acid | CHEMBL1276264
Type:
Small organic molecule
Emp. Form.:
C61H103N17O17
Mol. Mass.:
1346.5742
SMILES:
CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COC(=O)CCCCC(=O)OC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC |r,wU:4.3,91.93,29.44,65.72,80.82,16.59,46.47,wD:8.8,33.33,61.63,(17.81,-30.3,;19.11,-31.13,;19.05,-32.67,;20.35,-33.48,;20.3,-35.02,;18.94,-35.74,;17.61,-34.97,;17.61,-33.43,;16.28,-35.74,;16.28,-37.28,;17.61,-38.05,;17.61,-39.58,;18.94,-37.28,;14.94,-34.98,;13.64,-35.79,;13.69,-37.34,;12.27,-35.06,;12.22,-33.52,;13.52,-32.7,;13.47,-31.16,;12.12,-30.43,;14.78,-30.35,;15.36,-28.41,;23.96,-28.06,;25.65,-30.52,;26.98,-31.29,;28.32,-30.53,;26.97,-32.83,;28.3,-33.6,;28.3,-35.14,;26.97,-35.92,;25.64,-35.13,;25.64,-33.58,;24.3,-35.9,;24.3,-37.43,;25.53,-38.37,;26.98,-37.97,;27.85,-39.23,;26.89,-40.45,;25.45,-39.91,;22.97,-35.14,;21.59,-35.84,;21.54,-37.37,;29.63,-35.91,;29.63,-37.44,;30.94,-35.09,;32.27,-35.88,;33.6,-35.13,;33.64,-33.59,;32.33,-32.79,;32.36,-31.26,;31.04,-30.46,;31.11,-28.92,;32.45,-28.14,;29.74,-28.1,;32.23,-37.41,;33.55,-38.2,;30.89,-38.15,;10.95,-35.84,;9.59,-35.11,;9.59,-33.59,;8.33,-35.96,;7.09,-35.04,;5.75,-35.81,;5.75,-37.36,;4.42,-35.04,;4.42,-33.49,;5.75,-32.72,;5.75,-31.18,;4.44,-30.42,;7.1,-30.41,;3.09,-35.83,;1.76,-35.06,;1.76,-33.51,;.42,-35.84,;1.42,-37.03,;-.57,-37.03,;-.91,-35.08,;-2.26,-35.83,;-2.26,-37.4,;-3.6,-35.06,;-4.93,-35.84,;-6.26,-35.05,;-6.26,-33.5,;-7.61,-35.82,;-6.59,-37.02,;-8.6,-37.02,;-8.96,-35.07,;-3.6,-33.51,;-2.26,-32.74,;-4.96,-32.74,;8.33,-37.48,;9.64,-38.24,;7.02,-38.24,;7,-39.76,)|
Structure:
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