Ki Summary

Reaction Details

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Target

Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligand

BDBM50331020

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_684759 (CHEMBL1285786)

EC50

1122±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 Chem53:8072-9 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Parathyroid hormone/parathyroid hormone-related peptide receptor

Name:

Parathyroid hormone/parathyroid hormone-related peptide receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

66370.95

Organism:

Homo sapiens (Human)

Description:

PARATHYROID HT1 0 HUMAN::Q03431

Residue:

593

Sequence:

MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPA
SIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPL
GAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETRE
REVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVK
DAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWIL
VEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKK
WIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVH
YIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLA
LDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKP
GTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM

BDBM50331020

n/a

Name

BDBM50331020

Synonyms:

(S)-5-((2S,3S)-1-((2S,5S,8S,11S,20S)-8-((1H-imidazol-5-yl)methyl)-11-((S)-1-amino-6-guanidino-1-oxohexan-2-ylcarbamoyl)-5-butyl-2-isobutyl-3,6,9,14,21-pentaoxo-1,4,7,10,15-pentaazacyclohenicosan-20-ylamino)-3-methyl-1-oxopentan-2-ylamino)-4-(2-((S)-2-(2-amino-2-methylpropanamido)-3-methylbutanamido)-2-methylpropanamido)-5-oxopentanoic acid | CHEMBL1276263

Type

Small organic molecule

Emp. Form.

C60H104N18O14

Mol. Mass.

1301.58

SMILES

CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CC[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:4.3,88.90,26.41,62.69,77.79,16.56,43.44,wD:8.8,30.30,58.60,(18.41,-10.07,;19.72,-10.88,;19.65,-12.42,;20.95,-13.24,;20.9,-14.78,;19.54,-15.5,;18.21,-14.73,;18.21,-13.19,;16.88,-15.5,;16.88,-17.03,;18.21,-17.8,;18.21,-19.34,;19.54,-17.03,;15.54,-14.73,;14.23,-15.55,;14.29,-17.09,;12.87,-14.82,;12.81,-13.27,;14.13,-12.46,;14.08,-10.91,;15.38,-10.1,;15.76,-8.45,;27.58,-11.05,;28.92,-10.28,;27.58,-12.59,;28.91,-13.36,;28.91,-14.9,;27.57,-15.67,;26.25,-14.89,;26.25,-13.34,;24.91,-15.66,;24.91,-17.19,;26.13,-18.13,;27.59,-17.72,;28.46,-18.99,;27.5,-20.21,;26.05,-19.67,;23.57,-14.89,;22.2,-15.59,;22.14,-17.13,;30.24,-15.67,;30.23,-17.2,;31.55,-14.85,;32.87,-15.63,;34.22,-14.89,;34.25,-13.34,;32.94,-12.55,;32.97,-11.02,;31.65,-10.22,;31.72,-8.68,;33.05,-7.9,;30.35,-7.85,;32.84,-17.17,;34.16,-17.96,;31.5,-17.91,;11.54,-15.6,;10.18,-14.87,;10.18,-13.34,;8.92,-15.72,;7.68,-14.81,;6.35,-15.58,;6.35,-17.12,;5.01,-14.8,;5.01,-13.25,;6.35,-12.48,;6.35,-10.94,;5.03,-10.17,;7.69,-10.16,;3.69,-15.59,;2.35,-14.82,;2.35,-13.27,;1.02,-15.6,;2.01,-16.78,;.02,-16.78,;-.32,-14.83,;-1.65,-15.6,;-1.65,-17.16,;-3,-14.83,;-4.33,-15.6,;-5.66,-14.81,;-5.66,-13.26,;-6.99,-15.58,;-6,-16.78,;-8,-16.78,;-8.37,-14.82,;-3,-13.28,;-1.65,-12.51,;-4.35,-12.51,;8.93,-17.24,;10.24,-18,;7.62,-18,;7.6,-19.52,)|

Structure