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GPCR

NameHistamine H2 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh2
Synonymgastric receptor I
H2 receptor
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length358
Amino acid sequenceMEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR
UniProtP25102
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4654
IUPHAR263
DrugBankN/A

Ligand

NameCHEMBL31671
Molecular formulaC39H42N6O4
IUPAC name3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzamide
Molecular weight658.803
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.4
Synonyms3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-benzamide
BDBM50287258
Inchi KeyOXPFQDPMHQMMAD-BHVANESWSA-N
Inchi IDInChI=1S/C39H42N6O4/c1-44-34-20-7-6-19-33(34)35(29-14-4-2-5-15-29)42-36(38(44)47)43-39(48)41-31-17-11-16-30(26-31)37(46)40-21-12-24-49-32-18-10-13-28(25-32)27-45-22-8-3-9-23-45/h2,4-7,10-11,13-20,25-26,36H,3,8-9,12,21-24,27H2,1H3,(H,40,46)(H2,41,43,48)/t36-/m0/s1
PubChem CID44280115
ChEMBLCHEMBL31671
IUPHARN/A
BindingDB50287258
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd<10000.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1421ChEMBL

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