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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

NameCHEMBL318221
Molecular formulaC26H36N4O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
Molecular weight532.594
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.1
SynonymsBDBM50026284
SCHEMBL9787712
2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinic acid
Inchi KeyAUCWFRJADHPBDA-UFYCRDLUSA-N
Inchi IDInChI=1S/C26H36N4O8/c1-14(2)10-18(22(33)29-20(24(35)36)12-21(31)32)28-23(34)19(30-25(37)38-26(3,4)5)11-15-13-27-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,27H,10-12H2,1-5H3,(H,28,34)(H,29,33)(H,30,37)(H,31,32)(H,35,36)/t18-,19-,20-/m0/s1
PubChem CID44326760
ChEMBLCHEMBL318221
IUPHARN/A
BindingDB50026284
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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