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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	BDBM50287271
Molecular formula	C37H41N9O5S2
IUPAC name	[3-[(3R)-1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl] N-[4-[2-[[2-(2-amino-2-iminoethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethylamino]-4-oxobutyl]carbamate
Molecular weight	755.913
Hydrogen bond acceptor	10
Hydrogen bond donor	6
XlogP	3.1
Synonyms	(3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsulfanyl]-ethylcarbamoyl}-propyl)-carbamic acid 3-[(R)-1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenyl ester
Inchi Key	QBTCQFHVYOBEGS-UMSFTDKQSA-N
Inchi ID	InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1
PubChem CID	91934475
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50287271
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
274406	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
274405	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
274408	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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