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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	CHEMBL29888
Molecular formula	C33H35N9O4S2
IUPAC name	N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetamide
Molecular weight	685.822
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	3.1
Synonyms	BDBM50287237 N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-2-{3-[1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetamide
Inchi Key	PUMVZQPDPMFSFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H35N9O4S2/c1-20-7-5-9-22(15-20)37-32(45)40-29-30(44)42(2)26-12-4-3-11-25(26)28(39-29)21-8-6-10-24(16-21)46-17-27(43)36-13-14-47-18-23-19-48-33(38-23)41-31(34)35/h3-12,15-16,19,29H,13-14,17-18H2,1-2H3,(H,36,43)(H2,37,40,45)(H4,34,35,38,41)
PubChem CID	44280213
ChEMBL	CHEMBL29888
IUPHAR	N/A
BindingDB	50287237
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
269221	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
269220	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
269223	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
269222	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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