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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL53934
Molecular formula	C18H17NO3
IUPAC name	3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzonitrile
Molecular weight	295.338
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	3-[(4-acetyl-5-hydroxy-2-ethyphenoxy)methyl]benzonitrile 2'-Hydroxy-5'-ethyl-4'-[(3-cyanobenzyl)oxy]acetophenone ZINC10133 BYCRBBDYGNDDMI-UHFFFAOYSA-N L002885 3-[(4-acetyl-5-hydroxy-2-ethylphenoxy)methyl]benzonitrile SCHEMBL9417795 [ Show all ]
Inchi Key	BYCRBBDYGNDDMI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17NO3/c1-3-15-8-16(12(2)20)17(21)9-18(15)22-11-14-6-4-5-13(7-14)10-19/h4-9,21H,3,11H2,1-2H3
PubChem CID	14820097
ChEMBL	CHEMBL53934
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	58.0 %	PMID1316967	ChEMBL
Inhibition	61.0 %	PMID1316967	ChEMBL

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