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BioLiP Library

PDB CCD ID: W0D
Number of entries in BioLiP: 7
Chemical formula: C13 H11 N3 O2
InChI: InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKey: WFEIYWNIMQWEHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(CNC(=O)c1ccco1)nc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3
CACTVS 3.385O=C(NCc1[nH]c2ccccc2n1)c3occc3
Name:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
ChEMBL: CHEMBL1904688
ZINC: ZINC000000508336
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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