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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

NameMLS000389682
Molecular formulaC18H15ClN4O3
IUPAC name(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
Molecular weight370.793
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsAC1M4NHX
SMR000255956
(5Z)-2-(4-chloro-3-nitro-phenyl)-5-[4-(dimethylamino)benzylidene]-2-imidazolin-4-one
4-{[4-(dimethylamino)phenyl]methylene}-2-(4-chloro-3-nitrophenyl)-1,3-diazolin -5-one
HMS2599P13
[ Show all ]
Inchi KeyABMXCSNRCQOXLG-DHDCSXOGSA-N
Inchi IDInChI=1S/C18H15ClN4O3/c1-22(2)13-6-3-11(4-7-13)9-15-18(24)21-17(20-15)12-5-8-14(19)16(10-12)23(25)26/h3-10H,1-2H3,(H,20,21,24)/b15-9-
PubChem CID135433205
ChEMBLCHEMBL1335315
IUPHARN/A
BindingDB67259
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency35481.3 nMPubChem BioAssay data setChEMBL

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