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BioLiP

PDB CCD ID: EPN
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O4
InChI: InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2
InChIKey: XHRNQMMJGWBTBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCCOc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OCCCO
ACDLabs 10.04[O-][N+](=O)c1ccc(OCCCO)cc1
Name:3-(4-NITRO-PHENOXY)-PROPAN-1-OL
DrugBank: DB07722
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)(download the PDF file).
  • 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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