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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

NameCHEMBL334267
Molecular formulaC32H36N2O7S
IUPAC name(E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(oxaloamino)phenyl]sulfanylmethyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight592.707
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP6.8
SynonymsSCHEMBL8862038
3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-[3-(oxalyl-amino)-phenylsulfanylmethyl]-pyridin-2-yl}-acrylic acid
(E)-3-[[8-(4-Methoxyphenyl)octyl]oxy]-6-[[[3-(oxaloamino)phenyl]thio]methyl]pyridine-2-propenoic acid
BDBM50042156
Inchi KeyDNCMVHMLYHMBEJ-HTXNQAPBSA-N
Inchi IDInChI=1S/C32H36N2O7S/c1-40-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-41-29-18-14-25(33-28(29)17-19-30(35)36)22-42-27-11-8-10-24(21-27)34-31(37)32(38)39/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,34,37)(H,35,36)(H,38,39)/b19-17+
PubChem CID14977943
ChEMBLCHEMBL334267
IUPHARN/A
BindingDB50042156
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki72.0 nMPMID8230122BindingDB
Ki72.0 nMPMID8230122ChEMBL

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