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BioLiP

PDB CCD ID: FNG
Number of entries in BioLiP: 5
Chemical formula: C13 H16 N2 O9
InChI: InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1
InChIKey: BYSXBFJVGIOFBO-LNSPPBFMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)c1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(c1)[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2
OpenEye OEToolkits 1.5.0c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N
OpenEye OEToolkits 1.5.0c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1cc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O
Name:5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside;
5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE;
5-aminocarbonyl-3-nitrophenyl alpha-D-galactoside;
5-aminocarbonyl-3-nitrophenyl D-galactoside;
5-aminocarbonyl-3-nitrophenyl galactoside
DrugBank: DB02802
ZINC: ZINC000016051393
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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