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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	CHEMBL45460
Molecular formula	C19H27N4O3-
IUPAC name	1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)heptoxy]phenyl]ethanone
Molecular weight	359.45
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AJ-64270 sodium 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone; with sodium ion BDBM50036749 Sodium salt of 1-{5-Ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)-heptyloxy]-phenyl}-ethanone
Inchi Key	FKBUCAKNDBEHSA-UHFFFAOYSA-M
Inchi ID	InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
PubChem CID	86310951
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50036749
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	85.0 nM	N/A	BindingDB
Ki	66.0 nM	N/A	BindingDB
Ki	78.0 nM	N/A	BindingDB
Ki	128.0 nM	N/A	BindingDB

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