SEQ2FUN

BioLiP

PDB CCD ID: 3MB
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: VKPLPDIMEREJJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1cc(OC)ccc1)N
CACTVS 3.341COc1cccc(c1)C(N)=O
OpenEye OEToolkits 1.5.0COc1cccc(c1)C(=O)N
Name:3-METHOXYBENZAMIDE
ChEMBL: CHEMBL123978
DrugBank: DB03073
ZINC: ZINC000004521662
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).