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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	CHEMBL70883
Molecular formula	C28H23FN4O4
IUPAC name	ethyl 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Molecular weight	498.514
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.5
Synonyms	{5-(2-Fluoro-phenyl)-3-[(1H-indole-2-carbonyl)-amino]-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetic acid ethyl ester: 0.1C4H10O BDBM50019178 SCHEMBL9865119
Inchi Key	ATZKJWWUDVCPPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H23FN4O4/c1-2-37-24(34)16-33-23-14-8-5-11-19(23)25(18-10-4-6-12-20(18)29)31-26(28(33)36)32-27(35)22-15-17-9-3-7-13-21(17)30-22/h3-15,26,30H,2,16H2,1H3,(H,32,35)
PubChem CID	14208237
ChEMBL	CHEMBL70883
IUPHAR	N/A
BindingDB	50019178
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
14454	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
14453	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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