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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	CHEMBL1744085
Molecular formula	C36H44N6O2
IUPAC name	1-[(3R)-5-(4-methylphenyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea
Molecular weight	592.788
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	6.2
Synonyms	BDBM50370217 SCHEMBL14686169
Inchi Key	ZOTHFGCMZWDGAH-UMSFTDKQSA-N
Inchi ID	InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1
PubChem CID	11039234
ChEMBL	CHEMBL1744085
IUPHAR	N/A
BindingDB	50370217
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
433754	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
433755	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337

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