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BioLiP Library

PDB CCD ID: WRJ
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
InChIKey: UVEVMKODWDQIAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cccc2c1C=C(C(=O)N)CO2
CACTVS 3.385NC(=O)C1=Cc2ccccc2OC1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=C(CO2)C(=O)N
Name:2H-1-benzopyran-3-carboxamide
ZINC: ZINC000002023861
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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