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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

NameCHEMBL123722
Molecular formulaC23H18Cl2FNO3S
IUPAC name(E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-[2-(4-fluorophenyl)ethoxy]pyridin-2-yl]prop-2-enoic acid
Molecular weight478.359
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.2
Synonyms(E)-3-[2-(4-Fluorophenyl)ethoxy]-6-[[(2,6-dichlorophenyl)thio]methyl]pyridine-2-propenoic acid
BDBM50053355
SCHEMBL7020038
(E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[2-(4-fluoro-phenyl)-ethoxy]-pyridin-2-yl}-acrylic acid
SCHEMBL7020046
Inchi KeyACPSEHAVKXKSLF-PKNBQFBNSA-N
Inchi IDInChI=1S/C23H18Cl2FNO3S/c24-18-2-1-3-19(25)23(18)31-14-17-8-10-21(20(27-17)9-11-22(28)29)30-13-12-15-4-6-16(26)7-5-15/h1-11H,12-14H2,(H,28,29)/b11-9+
PubChem CID11798848
ChEMBLCHEMBL123722
IUPHARN/A
BindingDB50053355
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.5 nMPMID8809171BindingDB,ChEMBL

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