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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Cysteinyl leukotriene receptor 1
Species	Cavia porcellus (Guinea pig)
Gene	CYSLTR1
Synonym	CysLTR1 Cysteinyl leukotriene D4 receptor LTD4 receptor
Disease	N/A for non-human GPCRs
Length	340
Amino acid sequence	MDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
UniProt	Q2NNR5
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	CHEMBL5645
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	zafirlukast
Molecular formula	C31H33N3O6S
IUPAC name	cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Molecular weight	575.68
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.5
Synonyms	Q-201940 C07206 SMR000466316 Tox21_112176 cyclopentyl 3-(2-methoxy-4-(o-tolylsulfonylcarbamoyl)benzyl)-1-methyl-1H-indol-5-ylcarbamate cyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate 32256-EP2281819A1 DSSTox_RID_77181 32256-EP2305659A1 HMS3650A04 ICI-204219 AC-9018 MLS000759421-02 ACMC-209wlw NCGC00164547-02 BCP05226 Zafirlucast Zafirst s1633 CAS-107753-78-6 SR-01000759386-5 CS-2167 UNII-XZ629S5L50 cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methylindol-5-yl]carbamate 107753-78-6 D05DVP 32256-EP2292619A1 GP6218 32256-EP2311827A1 HY-17492 AB0012638 LS-50025 Accolate (TN) MolPort-003-850-873 AN-7458 NCGC00164547-05 BG0649 Zafirlukast (JAN/USAN/INN) BRD-K71289571-001-06-4 SC-45160 CCG-101025 STK646780 Cyclopentyl (3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate 32256-EP2281813A1 DSSTox_CID_3746 32256-EP2301933A1 HMS2089J10 4-(5-cyclopentyloxycarbonylamino-2-methylindol-3-yl-methyl)-3-methoxy-N-O-tolylsulfonylbenzamide ICI 204219 AB00639922_09 MFCD00864775 Accoleit NC00275 AstraZeneca brand of zafirlukast Olmoran YEEZWCHGZNKEEK-UHFFFAOYSA-N Zafirlukast(Accolate) Respix C31H33N3O6S SR-01000759386 CHEMBL603 Tox21_112176_1 cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate cyclopentyl [3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-1H-indol-5-yl]carbamate 32256-EP2284166A1 DTXSID5023746 32256-EP2308562A2 HMS3655E13 753Z786 KS-00001D9L AC1L1KZB MLS001424064 Aeronix NCGC00164547-03 BDBM50009073 Zeneca brand of zafirkulast BIDD:GT0267 SAM001246577 CC-35662 SR-01000759386-9 CTK4A5698 Vanticon cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-indol-5-yl]carbamate 32256-EP2270008A1 32256-EP2295409A1 GTPL3322 I06-0398 AB00639922-06 MCULE-2053856450 Accolate, Accoleit, Vanticon, Zafirlukast N-[3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-5-indolyl]carbamic acid cyclopentyl ester ANW-46530 NCGC00164547-06 Vanticon (TN) Zafirlukast [USAN:BAN:INN] C-23263 SCHEMBL4175 CHEBI:10100 SW197655-3 Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate Cyclopentyl N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamate 32256-EP2281815A1 DSSTox_GSID_23746 32256-EP2305640A2 HMS3393F12 4CH-018070 ICI-204,219 AB2000178 MLS000759421 Accoleit (TN) NCGC00164547-01 BC201090 PubChem18223 Z1551429730 Zafirlukast, >=98% (HPLC) RTR-001857 Carbamic acid, (3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-1H-indol-5-yl)-, cyclopentyl ester SR-01000759386-4 CPD000466316 TR-001857 cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methyl-1H-indol-5-yl]carbamate D00411 32256-EP2292617A1 FT-0601575 32256-EP2311818A1 HMS3713J08 A801752 L001011 Accolate MLS006011771 AKOS005577888 NCGC00164547-04 BG0591 Zafirlukast (Accolate) ZINC896717 BR-72849 SB19079 cc-92 ST2406760 cyclopentyl (1-methyl-3-{[2-(methyloxy)-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)phenyl]methyl}-1H-indol-5-yl)carbamate cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate 32256-EP2280006A1 DB00549 32256-EP2298415A1 HMS2051F12 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide ICI 204,219 AB00639922-08 Menarini brand of zafirlukast Accolate;Accoleit;Vanticon N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester AS-12943 Novartis brand of zafirlukast XZ629S5L50 Zafirlukast [USAN:INN:BAN] [ Show all ]
Inchi Key	YEEZWCHGZNKEEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PubChem CID	5717
ChEMBL	CHEMBL603
IUPHAR	3322
BindingDB	50009073
DrugBank	DB00549
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
ED50	0.54 umol.kg-1	PMID8176706	ChEMBL
IC50	0.44 nM	Bioorg. Med. Chem. Lett., (1995) 5:3:283	ChEMBL
IC50	0.44 nM	N/A	BindingDB
IC50	2.0 nM	PMID9873560	BindingDB,ChEMBL
IC50	44.0 nM	PMID9871521	BindingDB,ChEMBL
Ki	0.3 nM	PMID2342072, PMID9554877, PMID1849993	ChEMBL
Ki	0.3 nM	PMID2342072, PMID9554877, PMID1849993	BindingDB
Ki	0.34 nM	PMID8176706	ChEMBL
Ki	0.34 nM	PMID8176706	BindingDB
Ki	2.0 nM	PMID10509933, PMID9934474	BindingDB,ChEMBL
Ki	2.3 nM	, Bioorg. Med. Chem. Lett., (1995) 5:13:1377	BindingDB,ChEMBL
pKB	9.67 -	PMID8176706	ChEMBL

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