SEQ2FUN

BioLiP

PDB CCD ID: NPF
Number of entries in BioLiP: 8
Chemical formula: C12 H15 N O7
InChI: InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
InChIKey: SWRPIVXPHLYETN-BVWHHUJWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O
CACTVS 3.341C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O
ACDLabs 10.04[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
Name:2-nitrophenyl beta-D-fucopyranoside;
ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
2-nitrophenyl beta-D-fucoside;
2-nitrophenyl D-fucoside;
2-nitrophenyl fucoside
DrugBank: DB08297
ZINC: ZINC000006031723
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).