SEQ2FUN

BioLiP

PDB CCD ID: A1CD0
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O2
InChI: InChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey: HTLIXYXARPLOIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(cc1)C(N)=O
ACDLabs 14.52NC(=O)c1ccc(C)o1
OpenEye OEToolkits 3.1.0.0Cc1ccc(o1)C(=O)N
Name:5-methylfuran-2-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).