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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	GI-181771X
Molecular formula	C34H31N5O6
IUPAC name	3-[[(3S)-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Molecular weight	605.651
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.3
Synonyms	D0F6CT HY-11076 782482-04-6 GI 181771 UNII-6YF0SHR37T (S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)ureido)benzoic acid CHEMBL1269257 GSKI 181771X 6YF0SHR37T DB12309 J3.552.309J BDBM50329178 GI-181771 305366-98-7 CS-0003036 GSKI181771X 773156-20-0 DTXSID60184613 SB18866 [ Show all ]
Inchi Key	CABBMMXFOOZVMS-PMERELPUSA-N
Inchi ID	InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1
PubChem CID	51353551
ChEMBL	CHEMBL1269257
IUPHAR	N/A
BindingDB	50329178
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
37012	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
37014	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
37013	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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