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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

NameCHEMBL2432039
Molecular formulaC20H23N
IUPAC name(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight277.411
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50440988
Inchi KeyCHZUEGVOEFMIJH-ZKRSMWHSSA-N
Inchi IDInChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19-,20?/m0/s1
PubChem CID73355415
ChEMBLCHEMBL2432039
IUPHARN/A
BindingDB50440988
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6268.0 nMPMID23981939BindingDB,ChEMBL

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