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BioLiP Library

PDB CCD ID: VFA
Number of entries in BioLiP: 8
Chemical formula: C21 H18 N2 O3
InChI: InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKey: SIKMVWPMDNIKAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4
CACTVS 3.385COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1
ACDLabs 12.01c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O
Name:N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
ChEMBL: CHEMBL4797055
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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