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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Leukotriene B4 receptor 1
Species	Homo sapiens (Human)
Gene	LTB4R
Synonym	BLT1 receptor BLTR Chemoattractant receptor-like 1 G-protein coupled receptor 16 GPR16 P2Y7 P2Y purinoceptor 7 LTB4-R1 LTB4-R 1 [ Show all ]
Disease	Inflammatory disease Inflammatory bowel disease Human immunodeficiency virus infection Pancreatic cancer Psoriasis Cystic fibrosis Osteoporosis Renal cancer Rheumatoid arthritis Asthma Allergy [ Show all ]
Length	352
Amino acid sequence	MNTTSSAAPPSLGVEFISLLAIILLSVALAVGLPGNSFVVWSILKRMQKRSVTALMVLNLALADLAVLLTAPFFLHFLAQGTWSFGLAGCRLCHYVCGVSMYASVLLITAMSLDRSLAVARPFVSQKLRTKAMARRVLAGIWVLSFLLATPVLAYRTVVPWKTNMSLCFPRYPSEGHRAFHLIFEAVTGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILTFAAFWLPYHVVNLAEAGRALAGQAAGLGLVGKRLSLARNVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVAKLLEGTGSEASSTRRGGSLGQTARSGPAALEPGPSESLTASSPLKLNELN
UniProt	Q15722
Protein Data Bank	N/A
GPCR-HGmod model	Q15722
3D structure model	This predicted structure model is from GPCR-EXP Q15722.
BioLiP	N/A
Therapeutic Target Database	T59626
ChEMBL	CHEMBL3911
IUPHAR	267
DrugBank	BE0003490

Ligand

Name	CHEMBL139254
Molecular formula	C33H33FO5S
IUPAC name	2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]sulfanylbenzoic acid
Molecular weight	560.68
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	9.0
Synonyms	BDBM50029484 2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl) -5-hydroxyphenoxy]propoxy]thiophenoxy]benzoic acid 2-{3-[3-(5-Ethyl-4''-fluoro-2-hydroxy-biphenyl-4-yloxy)-propoxy]-2-propyl-phenylsulfanyl}-benzoic acid CAVSVHMDTRPSFI-UHFFFAOYSA-N 2-[2-propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]thiophenoxy]benzoic acid 2-[[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]thio]benzoic acid [ Show all ]
Inchi Key	CAVSVHMDTRPSFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H33FO5S/c1-3-9-25-29(11-7-13-31(25)40-32-12-6-5-10-26(32)33(36)37)38-18-8-19-39-30-21-28(35)27(20-22(30)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
PubChem CID	9872540
ChEMBL	CHEMBL139254
IUPHAR	N/A
BindingDB	50029484
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	42.0 nM	PMID7473568	BindingDB,ChEMBL

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