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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	MLS001218739
Molecular formula	C21H29N3O4
IUPAC name	ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
Molecular weight	387.48
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.7
Synonyms	MCULE-8545941972 AKOS000431939 MolPort-002-001-314 4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxylic acid ethyl ester ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate SR-01000505368-1 BAS 05435078 MLS-0445335.0001 CHEMBL1700182 SMR000612162 4-[1-(2-Methyl-benzoyl)-piperidine-4-carbonyl]-piperazine-1-carboxylic acid ethyl ester ethyl 4-[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate ZINC4559396 AC1MK75D BDBM80050 cid_3152307 SR-01000505368 4-[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester [ Show all ]
Inchi Key	TWYGQKIOVPITPN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
PubChem CID	3152307
ChEMBL	CHEMBL1700182
IUPHAR	N/A
BindingDB	80050
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
329531	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
329529	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
329532	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372
329530	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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