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BioLiP

PDB CCD ID: PFT
Number of entries in BioLiP: 5
Chemical formula: C15 H13 N O3
InChI: InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
InChIKey: FYANAIGOGAIFAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O
ACDLabs 11.02O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3
CACTVS 3.352Oc1ccc(c(O)c1)C(=O)N2Cc3ccccc3C2
Name:4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
ChEMBL: CHEMBL514290
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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