SEQ2FUN

BioLiP

PDB CCD ID: 6QN
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N3 O3
InChI: InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17)
InChIKey: RTMUDFJHLBNEDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNC(=O)C1=C(O)c2ccncc2NC1=O
OpenEye OEToolkits 2.0.5CCNC(=O)C1=C(c2ccncc2NC1=O)O
Name:~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide
ChEMBL: CHEMBL4441819
ZINC: ZINC000584905196
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).