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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

NameCHEMBL1078735
Molecular formulaC19H23N7
IUPAC name1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
Molecular weight349.442
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP2.5
SynonymsN/A
Inchi KeyBMCMMMRTWLCMFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N7/c20-13-25-19(22-9-4-3-5-16-12-21-14-26-16)23-10-8-15-11-24-18-7-2-1-6-17(15)18/h1-2,6-7,11-12,14,24H,3-5,8-10H2,(H,21,26)(H2,22,23,25)
PubChem CID44482297
ChEMBLCHEMBL1078735
IUPHARN/A
BindingDBN/A
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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