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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	MLS003551927
Molecular formula	C30H34N2O7
IUPAC name	ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate
Molecular weight	534.609
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.1
Synonyms	CHEMBL2132933 (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylic acid ethyl ester ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate BDBM96844 cid_53300042 (3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-piperonyl-3,4,5,6-tetrahydro-1-pyrindine-4a-carboxylic acid ethyl ester ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate SMR002202672 [ Show all ]
Inchi Key	CNXCAZVTWLYVQH-RCRUUEGKSA-N
Inchi ID	InChI=1S/C30H34N2O7/c1-3-37-29(35)30-13-6-9-26(30)32(18-20-10-11-24-25(15-20)39-19-38-24)28(34)22(17-30)16-27(33)31-14-12-21-7-4-5-8-23(21)36-2/h4-5,7-11,15,22H,3,6,12-14,16-19H2,1-2H3,(H,31,33)/t22-,30+/m1/s1
PubChem CID	53300042
ChEMBL	CHEMBL2132933
IUPHAR	N/A
BindingDB	96844
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
46401	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
46402	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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