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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	Cysteinyl leukotriene receptor 1
Species	Homo sapiens (Human)
Gene	CYSLTR1
Synonym	LTD4 receptor LTD4 leukotriene D4 receptor HMTMF81 HG55 G-protein coupled receptor HG55 CysLT1 receptor Cysteinyl leukotriene D4 receptor CysLTR1 CYSLT1R [ Show all ]
Disease	N/A
Length	337
Amino acid sequence	MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
UniProt	Q9Y271
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y271
3D structure model	This predicted structure model is from GPCR-EXP Q9Y271.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1798
IUPHAR	269
DrugBank	BE0000705

Ligand

Name	BAYu9773
Molecular formula	C27H36O5S
IUPAC name	4-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylbenzoic acid
Molecular weight	472.64
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	6.7
Synonyms	AC1NSJU2 4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-Carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]thio]benzoic acid Bay u9773, >=98% (HPLC), oil GTPL3381 1474AH 6(r)-(4-carboxyphenylthio)-5(s)-hydroxy-7(e),9(e),11(z),14(z)-eicosatetraenoic acid BDBM50033096 4-(((4S,5R,6E,8E,10Z,13Z)-1-Carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl)thio)benzoic acid AKOS024457452 CHEMBL285954 4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid BAY-u 9773 SCHEMBL1446016 154978-38-8 6(R)-(4-Carboxyphenylthio)-5(S)-hydroxy-7(E),9(E),11(Z),14(Z)eicosatetraenoic acid C27H36O5S 4-[(5S,6R,7E,9E,11Z,14Z)-1,5-dihydroxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanylbenzoic acid Bay u9773 D05CNT ZINC3787144 [ Show all ]
Inchi Key	PKJINWOACFYDQN-RBVMPENBSA-N
Inchi ID	InChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t24-,25+/m0/s1
PubChem CID	5311015
ChEMBL	CHEMBL285954
IUPHAR	3381
BindingDB	50033096
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	440.0 nM	PMID25408836, PMID11093801	BindingDB,IUPHAR,ChEMBL
IC50	5000.0 nM	PMID20423349	IUPHAR

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