SEQ2FUN

BioLiP

PDB CCD ID: KCH
Number of entries in BioLiP: 2
Chemical formula: C12 H10 N2 O3
InChI: InChI=1S/C12H10N2O3/c13-8-1-2-11(15)9(6-8)10-5-7(12(16)17)3-4-14-10/h1-6,15H,13H2,(H,16,17)
InChIKey: BJCZMMOGTXVENP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O
Name:2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
ChEMBL: CHEMBL3775869
ZINC: ZINC000263620269
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).