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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL113167
Molecular formula	C31H37NO6S
IUPAC name	(E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[(3-methoxyphenyl)sulfinylmethyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight	551.698
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.3
Synonyms	BDBM50042162 (E)-3-[[8-(4-Methoxyphenyl)octyl]oxy]-6-[[(3-methoxyphenyl)sulfinyl]methyl]pyridine-2-propenoic acid 3-{6-(3-Methoxy-benzenesulfinylmethyl)-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid
Inchi Key	DGJQLSJCNGPQKI-CZIZESTLSA-N
Inchi ID	InChI=1S/C31H37NO6S/c1-36-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-38-30-19-15-25(32-29(30)18-20-31(33)34)23-39(35)28-12-9-11-27(22-28)37-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)/b20-18+
PubChem CID	23257891
ChEMBL	CHEMBL113167
IUPHAR	N/A
BindingDB	N/A
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	232.0 nM	PMID8230122	ChEMBL

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