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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	CHEMBL3947926
Molecular formula	C31H38N6O2S
IUPAC name	2-[1-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
Molecular weight	558.745
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	US9314468, Table 7, Compound 109 BDBM221822 SCHEMBL13510505
Inchi Key	BOAIQEIFVSEBKI-NDEPHWFRSA-N
Inchi ID	InChI=1S/C31H38N6O2S/c32-13-3-4-16-36(28-11-5-7-23-8-6-14-34-30(23)28)21-26-31-25(12-15-33-26)24-9-1-2-10-27(24)37(31)22-29(38)35-17-19-40(39)20-18-35/h1-2,6,8-10,12,14-15,28H,3-5,7,11,13,16-22,32H2/t28-/m0/s1
PubChem CID	59176434
ChEMBL	CHEMBL3947926
IUPHAR	N/A
BindingDB	221822
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
536718	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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