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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	CHEMBL303386
Molecular formula	C30H32N4O4
IUPAC name	tert-butyl N-[(2R)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight	512.61
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50019238 [1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
Inchi Key	BHERLKVKOAHWMG-GEPVFLLWSA-N
Inchi ID	InChI=1S/C30H32N4O4/c1-30(2,3)38-29(37)31-23(19-20-13-7-5-8-14-20)27(35)33-26-28(36)34(4)24-18-12-11-17-22(24)25(32-26)21-15-9-6-10-16-21/h5-18,23,26H,19H2,1-4H3,(H,31,37)(H,33,35)/t23-,26?/m1/s1
PubChem CID	13809511
ChEMBL	CHEMBL303386
IUPHAR	N/A
BindingDB	50019238
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
23689	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
23690	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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