SEQ2FUN

BioLiP

PDB CCD ID: WNV
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c1-8-6-5-7-10(9(8)2)11(13)12(3)4/h5-7H,1-4H3
InChIKey: KJFNIMLMIUNQSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(cccc(C(=O)N(C)C)c1C)C
CACTVS 3.385CN(C)C(=O)c1cccc(C)c1C
OpenEye OEToolkits 2.0.7Cc1cccc(c1C)C(=O)N(C)C
Name:N,N,2,3-tetramethylbenzamide
ChEMBL: CHEMBL4554114
ZINC: ZINC000058378470
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).