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GPCR

NameHistamine H2 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH2
SynonymGastric receptor I
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMAFNGTVPSFCMDFTVYKVTISVILIILILVTVAGNVVVCLAVGLNRRLRSLTNCFIVSLAVTDLLLGLLVLPFSAIYQLSCKWSFSKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLITPARVAISLVFIWVISITLSFLSIHLGWNSRNETSKDNDTIVKCKVQVNEVYGLVDGLVTFYLPLLIMCITYFRIFKIAREQARRINHIGSWKAATIREHKATVTLAAVMGAFIICWFPYFTVFVYRGLKGDDAVNEVFEDVVLWLGYANSALNPILYAALNRDFRTAYHQLFCCRLASHNSHETSLRLNNSQLNRSQCQEPRWQEDKPLNLQVWSGTEVTAPQGATNR
UniProtP47747
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2882
IUPHARN/A
DrugBankN/A

Ligand

NameBU-E-76
Molecular formulaC21H24F2N6
IUPAC name1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Molecular weight398.462
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.5
SynonymsBU-E 76
N(1)-(3-(3,5-Difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine
CHEMBL59832
AKOS030602612
Guanidine,N-[3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
[ Show all ]
Inchi KeyAWNVXDSGXRUHRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)
PubChem CID3081064
ChEMBLCHEMBL59832
IUPHARN/A
BindingDB50403482
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity0.8 -PMID2569042ChEMBL
Intrinsic activity1.0 -Bioorg. Med. Chem. Lett., (1995) 5:18:2065, PMID2569042ChEMBL
pD27.91 -PMID2569042ChEMBL
pD28.05 -Bioorg. Med. Chem. Lett., (1995) 5:18:2065, PMID2569042ChEMBL
Relative potency112.2 -PMID2569042ChEMBL

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