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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

NameCHEMBL1078529
Molecular formulaC16H20N6S
IUPAC name1-cyano-2-[3-(1H-imidazol-5-yl)propyl]-3-(2-phenylsulfanylethyl)guanidine
Molecular weight328.438
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50415655
Inchi KeyAAOBJKVPHPJNIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N6S/c17-12-21-16(19-8-4-5-14-11-18-13-22-14)20-9-10-23-15-6-2-1-3-7-15/h1-3,6-7,11,13H,4-5,8-10H2,(H,18,22)(H2,19,20,21)
PubChem CID44480707
ChEMBLCHEMBL1078529
IUPHARN/A
BindingDB50415655
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC507244.36 nMPMID19791743BindingDB,ChEMBL
pKb>5.0 -PMID19791743ChEMBL

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