SEQ2FUN

BioLiP

PDB CCD ID: 7FF
Number of entries in BioLiP: 4
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
InChIKey: NRFKTHKRWVPCRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)N1CCCc2c1ccc(c2)N
CACTVS 3.385COC(=O)N1CCCc2cc(N)ccc12
Name:methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
ZINC: ZINC000006659310
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).