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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

NameCHEMBL91765
Molecular formulaC29H35N5O7
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight565.627
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.9
Synonyms3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-3-phenyl-propionylamino}-succinamic acid
BDBM50026282
Inchi KeyMVUAEZFRJUUYIN-VABKMULXSA-N
Inchi IDInChI=1S/C29H35N5O7/c1-29(2,3)41-28(40)34-23(14-18-16-31-20-12-8-7-11-19(18)20)27(39)33-22(13-17-9-5-4-6-10-17)26(38)32-21(25(30)37)15-24(35)36/h4-12,16,21-23,31H,13-15H2,1-3H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t21-,22-,23-/m0/s1
PubChem CID44326885
ChEMBLCHEMBL91765
IUPHARN/A
BindingDB50026282
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5030000.0 nMPMID3973899BindingDB,ChEMBL

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