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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

NameCHEMBL1077636
Molecular formulaC12H20N6
IUPAC name1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-propan-2-ylguanidine
Molecular weight248.334
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.2
Synonyms1192560-03-4
BDBM50415659
2-Cyano-1-[4-(1H-imidazol-4-yl)butyl]-3-isopropylguanidine
Inchi KeyBWNYFRHMGXLSFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H20N6/c1-10(2)18-12(16-8-13)15-6-4-3-5-11-7-14-9-17-11/h7,9-10H,3-6H2,1-2H3,(H,14,17)(H2,15,16,18)
PubChem CID44480960
ChEMBLCHEMBL1077636
IUPHARN/A
BindingDB50415659
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb>5.0 -PMID19791743ChEMBL

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