SEQ2FUN

BioLiP

PDB CCD ID: MRN
Number of entries in BioLiP: 5
Chemical formula: C17 H19 N O2
InChI: InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
InChIKey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C
CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1
Name:2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide;
2-Methyl-N-(3-isopropoxy-phenyl)-benzamide
ChEMBL: CHEMBL1615095
ZINC: ZINC000000105794
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).