SEQ2FUN

BioLiP

PDB CCD ID: A1C9S
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O3
InChI: InChI=1S/C12H11NO3/c1-8-4-5-9(7-10(8)14)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)
InChIKey: DIPYUCDKLWIPQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(Nc1ccc(C)c(O)c1)c1ccco1
CACTVS 3.385Cc1ccc(NC(=O)c2occc2)cc1O
OpenEye OEToolkits 3.1.0.0Cc1ccc(cc1O)NC(=O)c2ccco2
Name:N-(3-hydroxy-4-methylphenyl)furan-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).