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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	Botiacrine
Molecular formula	C20H24N2OS
IUPAC name	S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
Molecular weight	340.485
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.7
Synonyms	4774-53-2 Botiacrino [INN-Spanish] NSC_71202 AC1Q68Y6 CAS_4774-53-2 S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) ester Botiacrine [INN] LS-14237 UNII-032WJR708Q Botiacrinum S-(2-(Dimethylamino)ethyl) 9,9-dimethyl-10(9H)-acridinecarbothioate BDBM82374 CHEMBL2106109 s-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10(9h)-carbothioate 10-Acridancarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) ester Botiacrino Mo 876 ZINC1038 AC1L2FQD Botiacrinum [INN-Latin] S-(2-(Dimethylamino)ethyl)-9,9-dimethyl-10-acridancarbothioate 032WJR708Q L000986 SCHEMBL2110391 [ Show all ]
Inchi Key	QXRUCDDVUMKOPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2OS/c1-20(2)15-9-5-7-11-17(15)22(18-12-8-6-10-16(18)20)19(23)24-14-13-21(3)4/h5-12H,13-14H2,1-4H3
PubChem CID	71202
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82374
DrugBank	N/A
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
289435	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
289434	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
289432	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
289433	Muscarinic acetylcholine receptor M4	P17200	CHRM4	Gallus gallus (Chicken)	490

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