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BioLiP

PDB CCD ID: JFZ
Number of entries in BioLiP: 12
Chemical formula: C12 H15 N O7
InChI: InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
InChIKey: YILIDCGSXCGACV-SQKFTNEHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O
CACTVS 3.385C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O
Name:4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside;
4-nitrophenyl-alpha-L-fucose;
4-nitrophenyl 6-deoxy-alpha-L-galactoside;
4-nitrophenyl 6-deoxy-L-galactoside;
4-nitrophenyl 6-deoxy-galactoside
ChEMBL: CHEMBL4877910
ZINC: ZINC000005752331
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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