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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

NameCHEMBL33743
Molecular formulaC45H53N7O6
IUPAC name2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Molecular weight787.962
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP5.8
SynonymsBDBM50287262
{3-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-propyl}-carbamic acid 2-[(R)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-ethyl ester
Inchi KeyIJLVVMDQXVMEAV-WBCKFURZSA-N
Inchi IDInChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
PubChem CID44281005
ChEMBLCHEMBL33743
IUPHARN/A
BindingDB50287262
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
Kd1000.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1427ChEMBL

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