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GPCR

NameHistamine H2 receptor
SpeciesHomo sapiens (Human)
GeneHRH2
SynonymHH2R
H2R
Gastric receptor I
H2 receptor
DiseaseUlcerative colitis
Pain
Peptic ulcer
Gastroesophageal reflux disease
Gastric ulcer
[ Show all ]
Length359
Amino acid sequenceMAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProtP25021
Protein Data BankN/A
GPCR-HGmod modelP25021
3D structure modelThis predicted structure model is from GPCR-EXP P25021.
BioLiPN/A
Therapeutic Target DatabaseT30985
ChEMBLCHEMBL1941
IUPHAR263
DrugBankBE0000112

Ligand

NameCHEMBL2207641
Molecular formulaC34H40N4O2
IUPAC name1-(2-methoxyphenyl)-4-[[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methyl]piperazine
Molecular weight536.72
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50401944
Inchi KeyHVGNYVOUQOKFLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N4O2/c1-39-33-14-8-6-12-31(33)37-20-16-35(17-21-37)25-27-24-28(30-11-5-3-4-10-29(27)30)26-36-18-22-38(23-19-36)32-13-7-9-15-34(32)40-2/h3-15,24H,16-23,25-26H2,1-2H3
PubChem CID71454295
ChEMBLCHEMBL2207641
IUPHARN/A
BindingDB50401944
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki530.0 nMPMID23099096BindingDB,ChEMBL

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