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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.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Leukotriene B4 receptor 1
Species	Mus musculus (Mouse)
Gene	Ltb4r
Synonym	BLT1 receptor BLTR GPR16 LTB4-R 1 LTB4-R1
Disease	N/A for non-human GPCRs
Length	351
Amino acid sequence	MAANTTSPAAPSSPGGMSLSLLPIVLLSVALAVGLPGNSFVVWSILKRMQKRTVTALLVLNLALADLAVLLTAPFFLHFLARGTWSFREMGCRLCHYVCGISMYASVLLITIMSLDRSLAVARPFMSQKVRTKAFARWVLAGIWVVSFLLAIPVLVYRTVKWNNRTLICAPNYPNKEHKVFHLLFEAITGFLLPFLAVVASYSDIGRRLQARRFRRSRRTGRLVVLIILAFAAFWLPYHLVNLVEAGRTVAGWDKNSPAGQRLRLARYVLIALAFLSSSVNPVLYACAGGGLLRSAGVGFVVKLLEGTGSEVSSTRRGGTLVQTPKDTPACPEPGPTDSFMTSSTIPESSK
UniProt	O88855
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2657
IUPHAR	267
DrugBank	N/A

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	BDBM50037218 CP105696 DTXSID7047308 UNII-Z7354TW4BM 1-(3-(4-phenylbenzyl)-4-hydroxychroman-7-yl)cyclopentane-1-carboxylic acid CHEMBL51770 Cyclopentanecarboxylic acid, 1-(3-((1,1'-biphenyl)-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl)-, (3S-trans)- NCGC00248070-01 CP-105,696, >=98% (HPLC) DSSTox_GSID_47308 SCHEMBL1898224 CAS-158081-99-3 CS-0014935 GTPL3368 Z7354TW4BM 1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic Acid CP 105696 D0C0EO NCGC00254407-01 DSSTox_RID_82258 Tox21_300468 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)- HY-19193 158081-99-3 CP-105,696 DSSTox_CID_27308 Pfizer 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	30.3 nM	PMID7932545	BindingDB,ChEMBL

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