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BioLiP

PDB CCD ID: L05
Number of entries in BioLiP: 4
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:
SoftwareSMILES
ACDLabs 10.04O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)c4ccccc4
OpenEye OEToolkits 1.5.0COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4
CACTVS 3.341COc1ccc(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, Peter L 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).

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