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BioLiP

PDB CCD ID: WK5
Number of entries in BioLiP: 1
Chemical formula: C20 H18 N O4
InChI: InChI=1S/C20H18NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11,22H,1-3H3
InChIKey: KFTZMBXBOCZEMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)c2c3c(oc4ccc(OC)cc34)cc(C)[n]2O
OpenEye OEToolkits 2.0.7CC1=Cc2c(c3cc(ccc3o2)OC)C(=[N]1O)c4ccc(cc4)OC
Name:8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine
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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