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BioLiP

PDB CCD ID: IGE
Number of entries in BioLiP: 4
Chemical formula: C20 H17 N3 O2
InChI: InChI=1S/C20H17N3O2/c1-13-17(22-18(21-13)14-7-3-2-4-8-14)11-12-23-19(24)15-9-5-6-10-16(15)20(23)25/h2-10H,11-12H2,1H3,(H,21,22)
InChIKey: BIDCGVLZDMVKQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O
ACDLabs 12.01Cc1nc([NH]c1CCN1C(=O)c2ccccc2C1=O)c1ccccc1
Name:2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
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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