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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	MLS000101323
Molecular formula	C15H17N3OS
IUPAC name	2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Molecular weight	287.381
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.6
Synonyms	2-(sec-butylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one CCG-96912 F0580-0062 Oprea1_579941 AKOS002053715 HMS2252E17 ZINC02720596 2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CHEMBL1556242 MolPort-003-028-920 537668-27-2 G856-0781 SMR000018491 2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indol-4-one BDBM48977 MCULE-4449284379 3-methyl-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one cid_3254362 NCGC00135576-01 AC1MM2KH HMS1901O12 ZINC02720595 [ Show all ]
Inchi Key	BQVFSSLPCMGBHL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3OS/c1-4-9(2)20-15-17-12-10-7-5-6-8-11(10)16-13(12)14(19)18(15)3/h5-9,16H,4H2,1-3H3
PubChem CID	3254362
ChEMBL	N/A
IUPHAR	N/A
BindingDB	48977
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
30686	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
30687	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477

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