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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	UNII-AKQ3X6FEH0
Molecular formula	C23H36ClN3O4
IUPAC name	1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
Molecular weight	454.008
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	2.8
Synonyms	Urea, N-((1R)-1-(((4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl)carbonyl)-2-methylpropyl)-N'-(2-hydroxy-2-methylpropyl)- BMS-817399 SCHEMBL1604247 AKQ3X6FEH0 1202400-18-7 BDBM50056504 CHEMBL3334824 [ Show all ]
Inchi Key	GTDPZONCGOCXOD-JPYJTQIMSA-N
Inchi ID	InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
PubChem CID	44537841
ChEMBL	CHEMBL3334824
IUPHAR	N/A
BindingDB	50056504
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
445831	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
445832	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355

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