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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Cinalukast
Molecular formula	C23H28N2O3S
IUPAC name	4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
Molecular weight	412.548
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.6
Synonyms	J-005592 NCGC00092300-02 Tox21_111191 128312-51-6 AC1O5L5Y CHEBI:126598 D02846 MLS003899216 Ro-245913 ZINC3803377 4-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}amino)-2,2-diethyl-4-oxobutanoic acid BDBM50064086 CHEMBL283754 DB00587 DSSTox_RID_81087 N-{3-[2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid(Ro 24-5913) SCHEMBL37965 (E)-4-[[3-(2-(4-Cyclobutyl-2-thiazolyl)ethenyl)phenyl]amino]-2,2-diethyl-4-oxobutanoic acid BZMKNPGKXJAIDV-VAWYXSNFSA-N Cinalukast [USAN:INN] L000942 Ro 24-5913 Tox21_111191_1 3'-((E)-2-(4-Cyclobutyl-2-thiazolyl)vinyl)-2,2-diethylsuccinanilic acid AKOS024456917 CHEBI:93279 D06PEB MolPort-003-666-874 RT-012024 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid BRD-K72816382-001-01-3 DSSTox_CID_25742 DTXSID1045742 NCGC00092300-01 SMR002543511 (E)-4-[[3-[2-(4-cyclobutyl-2-thiazolyl)-ethenyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid 5E1O433QAI CAS-128312-51-6 Cinalukast, ~98% (HPLC) MFCD00864778 Ro-24-5913 UNII-5E1O433QAI 3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid B6930 N-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid SCHEMBL37964 4-[[3-[(1E)-2-(4-Cyclobutyl-2-thiazolyl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid Butanoic acid, 4-((3-(2-(4-cyclobutyl-2-thiazolyl)ethenyl)phenyl)amino)-2,2-diethyl-4-oxo-, (E)- Cinalukast (USAN/INN) DSSTox_GSID_45742 [ Show all ]
Inchi Key	BZMKNPGKXJAIDV-VAWYXSNFSA-N
Inchi ID	InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
PubChem CID	6436135
ChEMBL	CHEMBL283754
IUPHAR	N/A
BindingDB	50064086
DrugBank	DB00587
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
36595	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337
36596	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340

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