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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

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	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 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 Zeneca brand of zafirkulast 4CH-018070 ICI-204,219 AB2000178 MLS000759421 Accoleit (TN) NCGC00164547-01 BC201090 PubChem18223 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 Vanticon (TN) Zafirlukast [USAN:BAN:INN] HMS3713J08 A801752 L001011 Accolate MLS006011771 AKOS005577888 NCGC00164547-04 BG0591 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 Z1551429730 Zafirlukast, >=98% (HPLC) 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 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 Zafirlukast (Accolate) ZINC896717 ICI-204219 AC-9018 MLS000759421-02 ACMC-209wlw NCGC00164547-02 BCP05226 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 XZ629S5L50 Zafirlukast [USAN:INN:BAN] HY-17492 AB0012638 LS-50025 Accolate (TN) MolPort-003-850-873 AN-7458 NCGC00164547-05 BG0649 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 Zafirlucast Zafirst 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 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 Zafirlukast (JAN/USAN/INN) 753Z786 KS-00001D9L AC1L1KZB MLS001424064 Aeronix NCGC00164547-03 BDBM50009073 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 YEEZWCHGZNKEEK-UHFFFAOYSA-N Zafirlukast(Accolate) [ 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
IC50	1363.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	770.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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