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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	SC-41930
Molecular formula	C28H36O7
IUPAC name	7-[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	ACMC-20mopq D04GQW 7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid CGS 24115 GTPL6156 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propylchroman-2-carboxylic acid CHEMBL14823 LS-187544 2H-1-Benzopyran-2-carboxylicacid, 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl- BDBM50001610 D0I6IU SCHEMBL1889110 7-(3-(4-Acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid 7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid (SC41930) CGS-24115 L002224 120072-59-5 AC1L3GCN CTK0H8082 SC 41930 BioMed 101 D0S0WN 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-8-propylchroman-2-carboxylic acid 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid LS-186890 2H-1-Benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl- [ Show all ]
Inchi Key	ZVVCSBSDFGYRCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
PubChem CID	114999
ChEMBL	CHEMBL14823
IUPHAR	6156
BindingDB	50001610
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
ED50	1.2 umol.kg-1	PMID2542550	ChEMBL
IC50	1.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:6:811	BindingDB,ChEMBL
IC50	20.0 nM	PMID8709092	BindingDB,ChEMBL
IC50	43.0 nM	PMID7699700	BindingDB,ChEMBL
IC50	140.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:8:887	BindingDB,ChEMBL
IC50	300.0 nM	PMID8410983, PMID1331462, PMID2542550	BindingDB,ChEMBL
IC50	320.0 nM	PMID7699700	BindingDB,ChEMBL
IC50	808.0 nM	PMID7786309	IUPHAR
Ki	17.0 nM	PMID7786309	IUPHAR
Ki	220.0 nM	PMID8230123	BindingDB,ChEMBL
Ki	280.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:8:887	BindingDB,ChEMBL

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