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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	MLS001250385
Molecular formula	C18H22N2O5
IUPAC name	dimethyl (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate
Molecular weight	346.383
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM78423 cid_24856324 SR-01000786811-4 (3S)-3-cyclohexyl-4-keto-3-phenyl-diazetidine-1,2-dicarboxylic acid dimethyl ester HMS2205C06 SMR000798330 dimethyl (3S)-3-cyclohexyl-4-oxidanylidene-3-phenyl-1,2-diazetidine-1,2-dicarboxylate (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester HMS3334M01 CHEMBL1397381 SR-01000786811 dimethyl (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate [ Show all ]
Inchi Key	AAVLLOQMPXZIFJ-GOSISDBHSA-N
Inchi ID	InChI=1S/C18H22N2O5/c1-24-16(22)19-15(21)18(20(19)17(23)25-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t18-/m1/s1
PubChem CID	24856324
ChEMBL	CHEMBL1397381
IUPHAR	N/A
BindingDB	N/A
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
569	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
463021	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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