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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	BDBM50287261
Molecular formula	C37H43N9O4S2
IUPAC name	2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethyl N-[3-[2-[[2-(2-amino-2-iminoethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethylamino]propyl]carbamate
Molecular weight	741.93
Hydrogen bond acceptor	10
Hydrogen bond donor	6
XlogP	3.5
Synonyms	(3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsulfanyl]-ethylamino}-propyl)-carbamic acid 2-{3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-ethyl ester
Inchi Key	NPJYROYAOWMRGW-UMSFTDKQSA-N
Inchi ID	InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1
PubChem CID	91934473
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50287261
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
229024	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
229022	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
229025	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453

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