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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	CHEMBL522959
Molecular formula	C23H27N5O4S
IUPAC name	3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	469.56
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	5.3
Synonyms	SCHEMBL13208144 (R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50247947
Inchi Key	FIBJPCXODZVPBQ-IBGZPJMESA-N
Inchi ID	InChI=1S/C23H27N5O4S/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
PubChem CID	135937901
ChEMBL	CHEMBL522959
IUPHAR	N/A
BindingDB	50247947
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
559755	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
559756	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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