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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	MLS003777895
Molecular formula	C26H26ClN3O3S
IUPAC name	(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
Molecular weight	496.022
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM96873 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]-2-pyrrolidinecarboxamide cid_53361895 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide VU0453841-1 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(2-thenoylamino)acetyl]pyrrolidine-2-carboxamide CHEMBL2356751 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide SMR002440875 [ Show all ]
Inchi Key	ARMMQBVRSSCQPV-GMAHTHKFSA-N
Inchi ID	InChI=1S/C26H26ClN3O3S/c27-20-11-5-4-8-18(20)14-15-28-24(31)21-12-6-16-30(21)26(33)23(19-9-2-1-3-10-19)29-25(32)22-13-7-17-34-22/h1-5,7-11,13,17,21,23H,6,12,14-16H2,(H,28,31)(H,29,32)/t21-,23-/m0/s1
PubChem CID	53361895
ChEMBL	CHEMBL2356751
IUPHAR	N/A
BindingDB	96873
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
12580	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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