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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	CHEMBL15817
Molecular formula	C28H36O7
IUPAC name	6-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular weight	484.589
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	6.2
Synonyms	6-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid BDBM50281874
Inchi Key	DUJZETRWEYFSCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36O7/c1-5-8-19-16-21(17-20-10-12-25(28(30)31)35-26(19)20)33-14-7-15-34-24-13-11-22(18(3)29)27(32-4)23(24)9-6-2/h11,13,16-17,25H,5-10,12,14-15H2,1-4H3,(H,30,31)
PubChem CID	44270188
ChEMBL	CHEMBL15817
IUPHAR	N/A
BindingDB	50281874
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	41.0 nM	N/A	BindingDB
IC50	41.3 nM	Bioorg. Med. Chem. Lett., (1993) 3:6:1147	ChEMBL
Kb	22.0 nM	Bioorg. Med. Chem. Lett., (1993) 3:6:1147	ChEMBL
Ki	15.0 nM	N/A	BindingDB
Ki	15.4 nM	Bioorg. Med. Chem. Lett., (1993) 3:6:1147	ChEMBL

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