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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	CHEMBL334267
Molecular formula	C32H36N2O7S
IUPAC name	(E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-[[3-(oxaloamino)phenyl]sulfanylmethyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight	592.707
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	6.8
Synonyms	(E)-3-[[8-(4-Methoxyphenyl)octyl]oxy]-6-[[[3-(oxaloamino)phenyl]thio]methyl]pyridine-2-propenoic acid BDBM50042156 SCHEMBL8862038 3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-[3-(oxalyl-amino)-phenylsulfanylmethyl]-pyridin-2-yl}-acrylic acid
Inchi Key	DNCMVHMLYHMBEJ-HTXNQAPBSA-N
Inchi ID	InChI=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 CID	14977943
ChEMBL	CHEMBL334267
IUPHAR	N/A
BindingDB	50042156
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	72.0 nM	PMID8230122	BindingDB
Ki	72.0 nM	PMID8230122	ChEMBL

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