SEQ2FUN

BioLiP

PDB CCD ID: VNW
Number of entries in BioLiP: 0
Chemical formula: C11 H10 N2 O2 Se
InChI: InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
InChIKey: XNDKSZNZLHRFIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[Se]c1cc(nc2c(N)cccc12)C(O)=O
OpenEye OEToolkits 2.0.7C[Se]c1cc(nc2c1cccc2N)C(=O)O
Name:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
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).