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BioLiP

PDB CCD ID: AJ2
Number of entries in BioLiP: 3
Chemical formula: C10 H9 N O
InChI: InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChIKey: APLVPBUBDFWWAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1cc(O)nc2ccccc12
ACDLabs 12.01Oc1nc2ccccc2c(c1)C
OpenEye OEToolkits 1.7.6Cc1cc(nc2c1cccc2)O
Name:4-methylquinolin-2-ol
ChEMBL: CHEMBL424414
ZINC: ZINC000008586366
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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