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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	MLS003551996
Molecular formula	C31H46N2O5
IUPAC name	methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate
Molecular weight	526.718
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	(3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-octyl-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate BDBM96847 cid_53300195 (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1-octyl-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester methyl (3S,4aS)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-octyl-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate SMR002202741 CHEMBL2145204 [ Show all ]
Inchi Key	BSDKQUAJTWZZCI-NJHZRGNWSA-N
Inchi ID	InChI=1S/C31H46N2O5/c1-4-5-6-7-8-14-21-33-27-17-10-9-13-19-31(27,30(36)38-3)23-25(29(33)35)22-28(34)32-20-18-24-15-11-12-16-26(24)37-2/h11-12,15-17,25H,4-10,13-14,18-23H2,1-3H3,(H,32,34)/t25-,31+/m1/s1
PubChem CID	53300195
ChEMBL	CHEMBL2145204
IUPHAR	N/A
BindingDB	96847
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
31556	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
466789	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
31557	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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