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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	CHEMBL3740778
Molecular formula	C25H29ClF3N7O2S
IUPAC name	2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-[2-[4-(4-chloro-1H-indol-5-yl)piperazin-1-yl]ethyl]amino]acetonitrile;2,2,2-trifluoroacetic acid
Molecular weight	584.059
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	None
Synonyms	N/A
Inchi Key	DBPJWAZLNMDUCJ-NTISSMGPSA-N
Inchi ID	InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
PubChem CID	127042371
ChEMBL	CHEMBL3740778
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
523150	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
523152	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
523151	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
523153	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446

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