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GPCR

NameLeukotriene B4 receptor 1
SpeciesHomo sapiens (Human)
GeneLTB4R
SynonymBLT1 receptor
BLTR
Chemoattractant receptor-like 1
G-protein coupled receptor 16
GPR16
[ Show all ]
DiseaseInflammatory disease
Inflammatory bowel disease
Human immunodeficiency virus infection
Pancreatic cancer
Psoriasis
[ Show all ]
Length352
Amino acid sequenceMNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProtQ15722
Protein Data BankN/A
GPCR-HGmod modelQ15722
3D structure modelThis predicted structure model is from GPCR-EXP Q15722.
BioLiPN/A
Therapeutic Target DatabaseT59626
ChEMBLCHEMBL3911
IUPHAR267
DrugBankBE0003490

Ligand

NameCHEMBL137330
Molecular formulaC26H27NO5
IUPAC name6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxy-2,2-dimethylhexanoic acid
Molecular weight433.504
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50001655
SCHEMBL6757553
6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-yloxy)-2,2-dimethyl-hexanoic acid
6-[[4-(3,4-Methylenedioxyphenyl)-6-phenylpyridin-2-yl]oxy]-2,2-dimethylhexanoic acid
Inchi KeyBHZGPWWJYFBUPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27NO5/c1-26(2,25(28)29)12-6-7-13-30-24-16-20(14-21(27-24)18-8-4-3-5-9-18)19-10-11-22-23(15-19)32-17-31-22/h3-5,8-11,14-16H,6-7,12-13,17H2,1-2H3,(H,28,29)
PubChem CID10477988
ChEMBLCHEMBL137330
IUPHARN/A
BindingDB50001655
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC507.0 nMPMID1333012BindingDB,ChEMBL
IC5020.0 nMPMID1333012BindingDB,ChEMBL
IC50120.0 nMPMID1333012BindingDB,ChEMBL

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