SEQ2FUN

BioLiP

PDB CCD ID: LFO
Number of entries in BioLiP: 7
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
InChIKey: OHXYWSIWHXTWCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1cn(c2c1cccc2)C
CACTVS 3.385CNC(=O)c1cn(C)c2ccccc12
ACDLabs 12.01CNC(=O)c1cn(C)c2ccccc21
Name:N,1-dimethyl-1H-indole-3-carboxamide
ZINC: ZINC000004054174
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).