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BioLiP Library

PDB CCD ID: C00
Number of entries in BioLiP: 2
Chemical formula: C21 H15 N O3
InChI: InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3
InChIKey: ROMNEYAQUBNRLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C
CACTVS 3.341Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4ccccc4
OpenEye OEToolkits 1.5.0Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4
Name:2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
ChEMBL: CHEMBL1231545
DrugBank: DB07507
ZINC: ZINC000039047310
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)(download the PDF file).
  • 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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