SEQ2FUN

BioLiP

PDB CCD ID: A1AM8
Number of entries in BioLiP: 2
Chemical formula: C7 H8 N2 O2
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
InChIKey: XLQIGLBALJNHKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cnccc1C(=O)OC
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)c1ccncc1N
Name:methyl 3-aminopyridine-4-carboxylate
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).