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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	MLS003777904
Molecular formula	C29H30ClN3O3
IUPAC name	(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide
Molecular weight	504.027
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.2
Synonyms	cid_53361906 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(o-toluoylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxamide VU0453837-1 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide CHEMBL2360290 SMR002440884 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylphenyl)carbonylamino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide BDBM96877 [ Show all ]
Inchi Key	BSZANXVQBHWUHH-UIOOFZCWSA-N
Inchi ID	InChI=1S/C29H30ClN3O3/c1-20-10-5-7-14-23(20)27(34)32-26(22-12-3-2-4-13-22)29(36)33-19-9-16-25(33)28(35)31-18-17-21-11-6-8-15-24(21)30/h2-8,10-15,25-26H,9,16-19H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1
PubChem CID	53361906
ChEMBL	CHEMBL2360290
IUPHAR	N/A
BindingDB	96877
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
32151	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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