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BioLiP

PDB CCD ID: LI7
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N2 O2
InChI: InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
InChIKey: ZJASRZFZRYISET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2
CACTVS 3.341Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=Nc3ccc(cc3)O)C(=O)N2
Name:(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
DrugBank: DB03650
ZINC: ZINC000018137759
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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