SEQ2FUN

BioLiP

PDB CCD ID: A1BFI
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-14(2)12(15)10-5-6-11-9(8-10)4-3-7-13-11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKey: WKHXWPZSIXHQAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(C)C(=O)c1ccc2c(c1)CCCN2
ACDLabs 14.52
CACTVS 3.385		CN(C)C(=O)c1ccc2NCCCc2c1
Name:N,N-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
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).