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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	CHEMBL30656
Molecular formula	C35H38N10O5S2
IUPAC name	N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]acetamide
Molecular weight	742.874
Hydrogen bond acceptor	10
Hydrogen bond donor	6
XlogP	2.5
Synonyms	BDBM50287239 N-{[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethylcarbamoyl]-methyl}-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	SQOFWEYFVZRPBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H38N10O5S2/c1-21-7-5-9-23(15-21)40-34(49)43-31-32(48)45(2)27-12-4-3-11-26(27)30(42-31)22-8-6-10-25(16-22)50-18-29(47)39-17-28(46)38-13-14-51-19-24-20-52-35(41-24)44-33(36)37/h3-12,15-16,20,31H,13-14,17-19H2,1-2H3,(H,38,46)(H,39,47)(H2,40,43,49)(H4,36,37,41,44)
PubChem CID	9896825
ChEMBL	CHEMBL30656
IUPHAR	N/A
BindingDB	50287239
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
320820	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
320821	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
320822	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
320823	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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