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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	CHEMBL280980
Molecular formula	C31H31N9O3S2
IUPAC name	N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzamide
Molecular weight	641.769
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	2.7
Synonyms	N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzamide BDBM50287233
Inchi Key	KPVDSHPOPXBPGL-SANMLTNESA-N
Inchi ID	InChI=1S/C31H31N9O3S2/c1-40-24-13-6-5-12-23(24)25(19-8-3-2-4-9-19)37-26(28(40)42)38-30(43)35-21-11-7-10-20(16-21)27(41)34-14-15-44-17-22-18-45-31(36-22)39-29(32)33/h2-13,16,18,26H,14-15,17H2,1H3,(H,34,41)(H2,35,38,43)(H4,32,33,36,39)/t26-/m0/s1
PubChem CID	44280495
ChEMBL	CHEMBL280980
IUPHAR	N/A
BindingDB	50287233
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
175172	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
175170	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
175171	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
175173	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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