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BioLiP

PDB CCD ID: KTV
Number of entries in BioLiP: 5
Chemical formula: C15 H12 N2 O3
InChI: InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
InChIKey: XKXCBNSHVAFYGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O
CACTVS 3.385Oc1cccc(CNc2cccc3C(=O)NC(=O)c23)c1
ACDLabs 12.01C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
Name:4-{[(3-hydroxyphenyl)methyl]amino}-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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