Reaction Details Report a problem with these data
Target
Parathyroid hormone/parathyroid hormone-related peptide receptor
Ligand
BDBM50331022
Substrate
n/a
Meas. Tech.
ChEMBL_684759 (CHEMBL1285786)
EC50
2.4±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:
BDBM50331022
Synonyms:
(7S,10S,13S,16S,19S,22S,25S,28S)-13-((1H-imidazol-5-yl)methyl)-1-amino-28-(2-((S)-2-(2-amino-2-methylpropanamido)-3-methylbutanamido)-2-methylpropanamido)-10,22-bis(3-amino-3-oxopropyl)-25-sec-butyl-16-butyl-7-carbamoyl-1-imino-19-isobutyl-9,12,15,18,21,24,27-heptaoxo-2,8,11,14,17,20,23,26-octaazahentriacontan-31-oic acid | CHEMBL1276262
Type:
Small organic molecule
Emp. Form.:
C59H103N19O15
Mol. Mass.:
1318.5674
SMILES:
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(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)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(N)=O |r,wU:8.12,25.25,62.61,wD:55.55,44.44,4.4,16.21,72.72,81.81,29.34,(18.61,-11.45,;19.92,-10.64,;19.86,-9.1,;21.16,-8.28,;21.1,-6.74,;19.72,-6.07,;18.37,-6.82,;18.37,-8.36,;17.04,-6.05,;17.04,-4.52,;18.37,-3.75,;18.37,-2.21,;19.71,-4.52,;15.72,-6.83,;14.44,-5.97,;14.5,-4.43,;13.08,-6.7,;13.02,-8.24,;14.33,-9.06,;14.28,-10.61,;12.87,-11.37,;15.59,-11.42,;11.74,-5.93,;10.38,-6.64,;10.38,-8.16,;9.12,-5.79,;7.88,-6.71,;6.55,-5.93,;6.55,-4.39,;5.21,-6.72,;5.21,-8.26,;6.55,-9.03,;6.55,-10.57,;5.24,-11.37,;7.89,-11.35,;3.88,-5.94,;2.54,-6.71,;2.54,-8.26,;1.21,-5.93,;2.2,-4.75,;.21,-4.75,;-.12,-6.71,;-1.44,-5.92,;-1.44,-4.35,;-2.78,-6.69,;-4.13,-5.94,;-5.46,-6.72,;-5.46,-8.27,;-6.8,-5.95,;-5.81,-4.75,;-7.81,-4.75,;-8.19,-6.73,;-2.78,-8.24,;-1.44,-9.01,;-4.14,-9.01,;9.12,-4.26,;10.43,-3.51,;7.81,-3.5,;7.79,-1.99,;22.41,-5.93,;22.35,-4.39,;23.77,-6.64,;25.09,-5.86,;25.09,-4.32,;26.31,-3.39,;27.77,-3.8,;28.64,-2.52,;27.68,-1.31,;26.24,-1.85,;26.43,-6.63,;26.43,-8.18,;27.77,-5.87,;29.13,-6.6,;29.13,-8.14,;27.8,-8.91,;27.81,-10.45,;29.15,-11.22,;26.47,-11.22,;30.46,-5.83,;30.46,-4.29,;31.8,-6.59,;33.13,-5.8,;34.47,-6.55,;34.5,-8.09,;33.19,-8.89,;33.22,-10.42,;31.92,-11.24,;31.97,-12.78,;33.32,-13.57,;30.61,-13.61,;33.1,-4.27,;34.42,-3.48,;31.75,-3.52,)|
Structure:
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