SEQ2FUN

BioLiP

PDB CCD ID: NIY
Number of entries in BioLiP: 10
Chemical formula: C9 H10 N2 O5
InChI: InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey: FBTSQILOGYXGMD-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
CACTVS 3.341N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
Name:META-NITRO-TYROSINE
ChEMBL: CHEMBL1234745
DrugBank: DB03867
ZINC: ZINC000034800261
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).