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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

NameCHEMBL94448
Molecular formulaC29H42N6O8
IUPAC name(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight602.689
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP1.2
SynonymsBDBM50026280
2-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinamic acid
Inchi KeyMFHPUUTXUOUZBD-KPQYALRZSA-N
Inchi IDInChI=1S/C29H42N6O8/c1-15(2)11-20(25(38)35-22(27(40)41)13-23(30)36)34-26(39)21(12-17-14-31-19-10-8-7-9-18(17)19)33-24(37)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,36)(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t16-,20-,21-,22-/m0/s1
PubChem CID44326986
ChEMBLCHEMBL94448
IUPHARN/A
BindingDB50026280
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
IC5070000.0 nMPMID3973899BindingDB,ChEMBL

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