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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	LY223982
Molecular formula	C30H30O7
IUPAC name	3-[3-(2-carboxyethyl)-4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]benzoyl]benzoic acid
Molecular weight	502.563
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.8
Synonyms	3-{[3-(2-carboxyethyl)-4-{[(5E)-6-(4-methoxyphenyl)hex-5-en-1-yl]oxy}phenyl]carbonyl}benzoic acid Cgs 23131 HY-112737 LY-223980 SCHEMBL7202040 [3H]-CGS23131 117423-74-2 CHEMBL49302 Insulin-like growth factor 1 inhibitors, Axelar/Biovitrum LY-333982 Skf 107324 3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-, (E)- D0U9JL LY 223982 PDSP2_000572 XG52JC545T (E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid CGS-23131 IGF-1 inhibitors, Axelar/Biovitrum LY-223982 SCHEMBL7202044 [3H]CGS 23131 3-[3-(2-carboxyethyl)-4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]benzoyl]benzoic acid AC1O61A0 CS-0063235 J-003621 SKF-107324 3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid (BT223982) BVT-51004 GTPL3415 LY 233978 Disodium salt RT-013625 ZINC3780900 (Z)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid 5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid IGF-1 inhibitors, Karolinska/Biovitrum LY-255253 SK&F 107324 [3H]CGS23131 3-{3-(2-Carboxy-ethyl)-4-[(E)-6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid BDBM50001611 D01SJS L000032 PDSP1_000574 UNII-XG52JC545T [ Show all ]
Inchi Key	SYZSSLLFRVDRHL-QPJJXVBHSA-N
Inchi ID	InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
PubChem CID	6444688
ChEMBL	CHEMBL49302
IUPHAR	3415
BindingDB	50001611
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
IC50	1.9 nM	PMID8389876	BindingDB,ChEMBL
IC50	2.0 nM	PMID1333012, PMID1333011	BindingDB,ChEMBL
IC50	3.5 nM	PMID1333012, PMID1333011	BindingDB,ChEMBL
IC50	12.0 nM	PMID8410983, PMID1331462, PMID7932560	BindingDB,ChEMBL
IC50	13.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:1981, PMID8389876, PMID8709092	BindingDB,ChEMBL
IC50	13.2 nM	PMID8389876, PMID2170648	BindingDB,ChEMBL
IC50	1000.0 nM	PMID1333012	BindingDB,ChEMBL
Kd	13.0 nM	PMID1320692	IUPHAR
Ki	7.8 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:1981	BindingDB,ChEMBL
Ki	360.0 nM	PMID8230123	BindingDB,ChEMBL
Relative potency	159.0 -	PMID8389876	ChEMBL

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