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GPCR

NameParathyroid hormone/parathyroid hormone-related peptide receptor
SpeciesHomo sapiens (Human)
GenePTH1R
SynonymPTH1 receptor
PTHR
PTH/PTHrP type I receptor
PTH/PTHr receptor
PPR
[ Show all ]
DiseaseN/A
Length593
Amino acid sequenceMGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProtQ03431
Protein Data Bank6fj3, 3h3g, 3c4m
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 6fj3.
BioLiPBL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1793
IUPHARN/A
DrugBankN/A

Ligand

NameAC1OBEWP
Molecular formulaC19H17N3O3
IUPAC name(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Molecular weight335.363
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsCHEMBL1453136
(2Z)-3-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile
SMR000372486
HMS2703B03
3-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(3-methyl-1H-benzimidazol-2-ylidene)propanenitrile
[ Show all ]
Inchi KeyGSKKCIIGPUKZSB-MDWZMJQESA-N
Inchi IDInChI=1S/C19H17N3O3/c1-22-15-7-5-4-6-14(15)21-19(22)13(11-20)8-12-9-16(24-2)18(23)17(10-12)25-3/h4-10,23H,1-3H3/b13-8+
PubChem CID135519912
ChEMBLCHEMBL1453136
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Potency39810.7 nMPubChem BioAssay data setChEMBL

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