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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	CHEMBL299164
Molecular formula	C34H41N7O2
IUPAC name	1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea
Molecular weight	579.749
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	SCHEMBL7591109 1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(4-pyridin-3-yl-piperazin-1-yl)-phenyl]-urea D0U4SG 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea GTPL666 BDBM50127442 compound 12 [PMID: 12723943] [ Show all ]
Inchi Key	AIHOVEHIRAAXQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)
PubChem CID	10281725
ChEMBL	CHEMBL299164
IUPHAR	666
BindingDB	50127442
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
6222	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
553271	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337

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