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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

NameCHEMBL221718
Molecular formulaC27H31F3N2O4
IUPAC name2-[2-[4-[1-(2-ethoxyethyl)-6-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight504.55
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.5
Synonyms2-(2-(4-(1-(2-ethoxyethyl)-6-(trifluoromethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
BDBM50156895
Inchi KeyCDOSJOMPTRDTHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31F3N2O4/c1-2-35-15-14-32-18-23(21-8-7-20(17-24(21)32)27(28,29)30)19-9-11-31(12-10-19)13-16-36-25-6-4-3-5-22(25)26(33)34/h3-8,17-19H,2,9-16H2,1H3,(H,33,34)
PubChem CID11443495
ChEMBLCHEMBL221718
IUPHARN/A
BindingDB50156895
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC502900.0 nMPMID15566302BindingDB,ChEMBL

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