SEQ2FUN

BioLiP

PDB CCD ID: 2ZV
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N3 O2
InChI: InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccnc(c1[N+](=O)[O-])N
CACTVS 3.385Cc1ccnc(N)c1[N+]([O-])=O
ACDLabs 12.01O=[N+]([O-])c1c(ccnc1N)C
Name:4-methyl-3-nitropyridin-2-amine
ChEMBL: CHEMBL3981727
ZINC: ZINC000019015177
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).