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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	CP-105696
Molecular formula	C28H28O4
IUPAC name	1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid
Molecular weight	428.528
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.5
Synonyms	DSSTox_RID_82258 Tox21_300468 HY-19193 1-((3S,4R)-3-Biphenyl-4-ylmethyl-4-hydroxy-chroman-7-yl)-cyclopentanecarboxylic acid Cyclopentanecarboxylic acid, 1-((3S,4R)-3-((1,1'-biphenyl)-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl)- DSSTox_CID_27308 Pfizer 105696 158081-99-3 CP-105,696 DTXSID7047308 UNII-Z7354TW4BM BDBM50037218 CP105696 Cyclopentanecarboxylic acid, 1-(3-((1,1'-biphenyl)-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl)-, (3S-trans)- NCGC00248070-01 1-(3-(4-phenylbenzyl)-4-hydroxychroman-7-yl)cyclopentane-1-carboxylic acid CHEMBL51770 DSSTox_GSID_47308 SCHEMBL1898224 CP-105,696, >=98% (HPLC) GTPL3368 Z7354TW4BM CAS-158081-99-3 CS-0014935 D0C0EO NCGC00254407-01 1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic Acid CP 105696 [ Show all ]
Inchi Key	KMNLXCBYBKHKSK-BKMJKUGQSA-N
Inchi ID	InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1
PubChem CID	9867257
ChEMBL	CHEMBL51770
IUPHAR	3368
BindingDB	50037218
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	5.6 nM	PMID7932545	BindingDB,ChEMBL
IC50	8.4 nM	PMID8709092	BindingDB,ChEMBL
IC50	8.42 nM	PMID7714764	IUPHAR
IC50	9.7 nM	PMID7932545	BindingDB,ChEMBL

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