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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	CHEMBL406844
Molecular formula	C43H49N7O6
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[3-oxo-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]propyl]carbamate
Molecular weight	759.908
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	4.9
Synonyms	BDBM50287265 {2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-ethyl}-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester
Inchi Key	GBTCDSUSVMDXPF-FAIXQHPJSA-N
Inchi ID	InChI=1S/C43H49N7O6/c1-49-37-20-7-6-19-36(37)39(33-15-4-2-5-16-33)47-40(41(49)52)48-42(53)46-34-17-10-14-32(27-34)30-56-43(54)45-23-21-38(51)44-22-12-26-55-35-18-11-13-31(28-35)29-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,40H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,54)(H2,46,48,53)/t40-/m0/s1
PubChem CID	44280741
ChEMBL	CHEMBL406844
IUPHAR	N/A
BindingDB	50287265
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
92592	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
92591	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
92593	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
92594	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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