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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

NameCHEMBL3220884
Molecular formulaC19H24N4O
IUPAC name3-phenyl-N-[N'-(3-pyridin-3-ylpropyl)carbamimidoyl]butanamide
Molecular weight324.428
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsN/A
Inchi KeyBRGLCLCWSZIUEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N4O/c1-15(17-9-3-2-4-10-17)13-18(24)23-19(20)22-12-6-8-16-7-5-11-21-14-16/h2-5,7,9-11,14-15H,6,8,12-13H2,1H3,(H3,20,22,23,24)
PubChem CID90667426
ChEMBLCHEMBL3220884
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
Intrinsic activity-0.11 -MedChemComm, (2014) 5:1:72ChEMBL
pKb5.27 -MedChemComm, (2014) 5:1:72ChEMBL

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