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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	CHEMBL3397998
Molecular formula	C30H40ClFN4O2
IUPAC name	1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]piperidine-4-carboxamide
Molecular weight	543.124
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50062981 1-acetyl-N-(3-chloro-4-methyl-phenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]piperidine-4-carboxamide
Inchi Key	AOCCUSCVPQOIRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H40ClFN4O2/c1-23-5-10-28(21-29(23)31)36(30(38)26-11-17-35(18-12-26)24(2)37)16-4-14-33-13-3-15-34(20-19-33)22-25-6-8-27(32)9-7-25/h5-10,21,26H,3-4,11-20,22H2,1-2H3
PubChem CID	118727187
ChEMBL	CHEMBL3397998
IUPHAR	N/A
BindingDB	50062981
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
442094	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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