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BioLiP

PDB CCD ID: JY4
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N4 O2
InChI: InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)
InChIKey: NOAZBIGPIKIKDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c23c1c(cc(c(c1)OC)OC)nnc2nnc3C
CACTVS 3.385COc1cc2nnc3n[nH]c(C)c3c2cc1OC
OpenEye OEToolkits 2.0.6Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC
Name:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
ChEMBL: CHEMBL4534373
ZINC: ZINC000009060386
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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