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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	MLS000714572
Molecular formula	C22H30N2O6
IUPAC name	(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide
Molecular weight	418.49
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-methoxyethyl)but-2-enamide BDBM54810 SR-01000327132-1 (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide cid_5770966 AKOS000799411 SMR000274551 (E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide ZINC4861421 HMS2691F12 (E)-4-(2-HYDROXY-4-METHOXY-PHENYL)-4-OXO-BUT-2-ENOIC ACID CYCLOHEXYLCARBAMOYLMETHYL-(2-METHOXY-ETHYL)-AMIDE ASN 05991101 SR-01000327132 (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxo-2-butenamide CHEMBL1477197 AC1NY924 [ Show all ]
Inchi Key	AGSSSXPKNBFAAT-ZHACJKMWSA-N
Inchi ID	InChI=1S/C22H30N2O6/c1-29-13-12-24(15-21(27)23-16-6-4-3-5-7-16)22(28)11-10-19(25)18-9-8-17(30-2)14-20(18)26/h8-11,14,16,26H,3-7,12-13,15H2,1-2H3,(H,23,27)/b11-10+
PubChem CID	5770966
ChEMBL	CHEMBL1477197
IUPHAR	N/A
BindingDB	54810
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
5175	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
5176	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
5174	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
5177	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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