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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	MLS002245100
Molecular formula	C19H21ClN4O3
IUPAC name	N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
Molecular weight	388.852
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.9
Synonyms	N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide 3-[[anilino(oxo)methyl]amino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide HMS3044I22 SMR001308765 AKOS033969619 MolPort-004-153-983 CHEMBL1699232 N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide 879138-60-0 MCULE-6367844649 Z26604904 BDBM96816 N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-3-(phenylcarbamoylamino)propionamide cid_16292840 N-{[(2-chlorophenyl)carbamoyl]methyl}-N-methyl-3-[(phenylcarbamoyl)amino]propanamide ZINC8038245 [ Show all ]
Inchi Key	BWBWSSQSBXNODV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN4O3/c1-24(13-17(25)23-16-10-6-5-9-15(16)20)18(26)11-12-21-19(27)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,25)(H2,21,22,27)
PubChem CID	16292840
ChEMBL	CHEMBL1699232
IUPHAR	N/A
BindingDB	96816
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
467134	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
34316	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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