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BioLiP Library

PDB CCD ID: OGB
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3
InChIKey: AYIKNXKAUAUIBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)c1cccc2c1ccnc2
CACTVS 3.385COC(=O)c1cccc2cnccc12
Name:methyl isoquinoline-5-carboxylate
ZINC: ZINC000001757562
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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