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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

NameCHEMBL426786
Molecular formulaC26H32N2O3
IUPAC name2-[2-[4-(1-butylindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid
Molecular weight420.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
SynonymsSCHEMBL6781923
2-{2-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-yl]-ethoxy}-benzoic acid
BDBM50156873
NKNYSGLYIJGMTP-UHFFFAOYSA-N
2-{2-[4-(1-butyl-1H-indol-3-yl)piperidin-1-yl]ethoxy}-benzoic acid
Inchi KeyNKNYSGLYIJGMTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N2O3/c1-2-3-14-28-19-23(21-8-4-6-10-24(21)28)20-12-15-27(16-13-20)17-18-31-25-11-7-5-9-22(25)26(29)30/h4-11,19-20H,2-3,12-18H2,1H3,(H,29,30)
PubChem CID9802248
ChEMBLCHEMBL426786
IUPHARN/A
BindingDB50156873
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509105.0 nMPMID15566302BindingDB,ChEMBL

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