Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetParathyroid hormone/parathyroid hormone-related peptide receptor
LigandBDBM50269971
Substrate/Competitorn/a
Meas. Tech.ChEMBL_505700 (CHEMBL944462)
EC50 32±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: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:
MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPA
SIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPL
GAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETRE
REVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVK
DAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWIL
VEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKK
WIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVH
YIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLA
LDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKP
GTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50269971
n/a
NameBDBM50269971
Synonyms:Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Lys-Trp | CHEMBL514849
TypeSmall organic molecule
Emp. Form.C76H124N24O18S
Mol. Mass.1694.013
SMILESCC[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(N)=O |r,wU:26.27,96.96,17.17,4.4,44.43,60.59,79.79,wD:70.70,8.13,105.105,2.2,35.34,52.51,91.92,22.22,(5.02,-.01,;5.03,-1.56,;6.37,-2.33,;7.7,-1.56,;6.37,-3.87,;5.16,-4.77,;3.8,-4.05,;3.81,-2.5,;2.53,-4.91,;2.53,-6.45,;3.86,-7.22,;3.86,-8.75,;2.53,-9.53,;5.19,-9.53,;1.32,-4.02,;-.03,-4.74,;-.03,-6.29,;-1.3,-3.88,;-1.3,-2.34,;-2.53,-4.76,;-3.88,-4.03,;-3.87,-2.49,;-5.16,-4.9,;-6.37,-4.01,;-7.72,-4.74,;-7.72,-6.28,;-9,-3.87,;-9,-2.33,;-10.21,-4.76,;-5.16,-6.45,;-3.83,-7.21,;-6.49,-7.21,;7.64,-4.74,;7.65,-6.28,;9.01,-4,;10.21,-4.89,;10.22,-6.43,;11.55,-7.21,;11.55,-8.74,;10.22,-9.51,;12.87,-9.51,;11.49,-4.03,;11.49,-2.48,;12.85,-4.75,;14.06,-3.85,;14.06,-2.31,;15.4,-1.54,;15.4,-0,;16.72,-2.31,;15.33,-4.72,;15.34,-6.26,;16.7,-4,;17.9,-4.88,;17.9,-6.42,;19.23,-7.2,;19.23,-8.73,;20.56,-9.5,;19.18,-4.02,;19.19,-2.47,;20.54,-4.75,;21.76,-3.86,;21.76,-2.32,;23.09,-1.54,;24.56,-2.04,;25.47,-.8,;24.58,.46,;23.1,-0,;23.03,-4.72,;23.04,-6.27,;24.39,-4,;25.61,-4.89,;25.61,-6.43,;26.93,-7.2,;26.93,-8.73,;25.61,-9.5,;28.27,-9.5,;26.88,-4.02,;26.89,-2.48,;28.25,-4.75,;29.46,-3.86,;29.47,-2.32,;30.8,-1.55,;30.8,-.01,;32.12,.76,;32.12,2.28,;33.45,3.05,;33.45,4.58,;34.77,2.28,;30.74,-4.73,;30.74,-6.27,;32.1,-4,;33.3,-4.89,;33.3,-6.43,;34.58,-4.03,;34.59,-2.48,;35.95,-4.76,;37.16,-3.86,;37.16,-2.32,;38.5,-1.55,;38.5,-.01,;39.82,.75,;39.82,2.29,;38.44,-4.73,;38.45,-6.28,;39.79,-3.99,;41.02,-4.88,;41.02,-6.42,;42.34,-7.2,;43.84,-6.86,;44.63,-8.17,;43.61,-9.33,;43.81,-10.86,;42.58,-11.78,;41.16,-11.17,;40.98,-9.66,;42.21,-8.73,;42.29,-4.02,;43.64,-4.74,;42.29,-2.47,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: