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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	leukotriene D4
Molecular formula	C25H40N2O6S
IUPAC name	(5S,6R,7E,9E,11Z,14Z)-6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular weight	496.663
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	1.4
Synonyms	27833-EP2289882A1 27833-EP2308857A1 27833-EP2374788A1 CHEMBL1521056 SMP2_000046 (5S,6R,7E,9E,11Z,14Z)-6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid 27833-EP2295406A1 27833-EP2314587A1 DTXSID6040533 LTD (sub 4) [3H]LTD4 27833-EP2270114A1 27833-EP2305627A1 27833-EP2372017A1 AC1O5JI4 GTPL3412 S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]cysteinylglycine 27833-EP2289886A1 27833-EP2308865A1 27833-EP2374895A1 D03YBH LS-72362 YEESKJGWJFYOOK-LDDGIIIKSA-N 27833-EP2270101A1 27833-EP2298767A1 27833-EP2371810A1 5(S)-Hydroxy-6(R)-S-cysteinylglycinyl-7-trans-9-trans-11-cis-14-cis-eicosatetraenoic Acid Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-, (R-(R,S-(E,E,Z,Z)))- LTD4 27833-EP2272849A1 27833-EP2308509A1 27833-EP2374787A1 BML1-E08 Leukotriene D(sub 4) SCHEMBL4295683 (5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid 27833-EP2292592A1 27833-EP2309584A1 D0B2WI LTD [3H]-LTD4 27833-EP2270113A1 27833-EP2305254A1 27833-EP2371811A2 73836-78-9 GTPL3353 NCGC00161277-01 [ Show all ]
Inchi Key	YEESKJGWJFYOOK-LDDGIIIKSA-N
Inchi ID	InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1
PubChem CID	6435286
ChEMBL	N/A
IUPHAR	3412, 3353
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.4 nM	PMID10391245	IUPHAR
EC50	0.6 - 46.0 nM	PMID10391245, PMID10462554, PMID10913337, PMID11093801, PMID21753081, PMID17558309	IUPHAR
EC50	3.0 nM	PMID10391245	IUPHAR
EC50	3.4 nM	PMID14518564	IUPHAR
IC50	9.0 nM	PMID10462554	IUPHAR
Kd	0.0251189 - 2.51189 nM	PMID9547367, PMID9504401	IUPHAR
Kd	0.060256 - 6.16595 nM	PMID10391245, PMID16306225	IUPHAR
Kd	0.5 nM	PMID14518564	IUPHAR

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