SEQ2FUN

BioLiP

PDB CCD ID: LR9
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3
InChIKey: URNKFNQWYLXELN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(C)C(=O)c1cccc(c1)N
CACTVS 3.385CCN(C)C(=O)c1cccc(N)c1
ACDLabs 12.01O=C(c1cc(N)ccc1)N(C)CC
Name:3-amino-N-ethyl-N-methylbenzamide
ZINC: ZINC000037078066
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).