BioLiP

PDB

BioLiP

PDB CCD ID:

L05

Number of entries in BioLiP:

Chemical formula:

C24 H20 N2 O3

InChI:

InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3

InChIKey:

HLZMYWLMBBLASX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)c4ccccc4
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4
CACTVS 3.341	COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1

Name:

1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE

ChEMBL:

CHEMBL189938

DrugBank:

DB08063

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).