Ki Summary

Reaction Details

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Target

Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligand

BDBM50269974

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_505703 (CHEMBL944465)

IC50

10560±n/a nM

Citation

Carter, PH; Liu, RQ; Foster, WR; Tamasi, JA; Tebben, AJ; Favata, M; Staal, A; Cvijic, ME; French, MH; Dell, V; Apanovitch, D; Lei, M; Zhao, Q; Cunningham, M; Decicco, CP; Trzaskos, JM; Feyen, 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 A104:6846-51 (2007) [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

BDBM50269974

n/a

Name

BDBM50269974

Synonyms:

Ala-Val-Ala-Glu-lle-Gln-Leu-Nle-His-Gln-Har-Ala-Lys-Tyr | CHEMBL450474

Type

Small organic molecule

Emp. Form.

C75H125N23O19

Mol. Mass.

1652.9377

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@H](C)NC(=O)[C@@H](NC(=O)[C@H](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(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:79.79,25.25,47.48,60.59,8.12,38.38,96.96,wD:29.34,16.21,91.92,70.70,53.53,105.105,43.43,4.4,(19.79,-32.24,;18.45,-31.5,;18.43,-29.97,;17.09,-29.22,;17.07,-27.69,;15.77,-26.88,;14.41,-27.6,;14.41,-29.15,;13.14,-26.73,;13.14,-25.19,;14.47,-24.42,;14.47,-22.88,;15.8,-25.19,;11.92,-27.63,;10.55,-26.91,;10.56,-25.36,;9.28,-27.78,;9.28,-29.32,;10.62,-30.09,;10.62,-31.62,;9.28,-32.4,;11.94,-32.4,;8.07,-26.88,;6.71,-27.62,;6.71,-29.17,;5.43,-26.75,;4.22,-27.65,;2.86,-26.93,;2.87,-25.38,;1.59,-27.79,;1.59,-29.33,;2.92,-30.11,;2.92,-31.64,;1.59,-32.42,;4.25,-32.42,;.38,-26.9,;-.98,-27.63,;-.97,-29.17,;-2.25,-26.76,;-2.25,-25.22,;-3.47,-27.64,;-4.82,-26.91,;-4.82,-25.37,;-6.11,-27.78,;-7.32,-26.89,;-8.68,-27.62,;-8.67,-29.16,;-9.96,-26.75,;-9.96,-25.21,;-11.17,-27.64,;-6.11,-29.33,;-4.78,-30.1,;-7.44,-30.1,;5.43,-25.21,;6.76,-24.44,;4.09,-24.43,;4.08,-22.89,;18.25,-26.9,;18.27,-25.35,;19.62,-27.63,;20.84,-26.74,;20.84,-25.2,;22.17,-24.42,;23.64,-24.92,;24.55,-23.68,;23.66,-22.42,;22.19,-22.88,;22.12,-27.61,;22.12,-29.15,;23.47,-26.88,;24.69,-27.77,;24.69,-29.31,;26.02,-30.09,;26.02,-31.62,;24.69,-32.39,;27.36,-32.39,;25.97,-26.9,;25.98,-25.36,;27.34,-27.63,;28.55,-26.74,;28.55,-25.2,;29.89,-24.43,;29.89,-22.89,;31.22,-22.12,;31.22,-20.59,;32.54,-19.82,;32.54,-18.29,;33.87,-20.59,;29.83,-27.61,;29.83,-29.15,;31.19,-26.88,;32.4,-27.78,;32.4,-29.32,;33.68,-26.91,;33.68,-25.36,;35.04,-27.64,;36.26,-26.75,;36.26,-25.2,;37.59,-24.43,;37.6,-22.89,;38.92,-22.13,;38.92,-20.59,;37.54,-27.61,;37.55,-29.16,;38.9,-26.88,;40.24,-27.61,;40.27,-29.14,;41.61,-29.88,;41.64,-31.41,;42.98,-32.15,;44.29,-31.36,;45.63,-32.09,;44.25,-29.82,;42.91,-29.09,;41.55,-26.82,;42.89,-27.55,;41.52,-25.28,)|

Structure