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BioLiP

PDB CCD ID: 6NY
Number of entries in BioLiP: 0
Chemical formula: C17 H20 N2 O4
InChI: InChI=1S/C17H20N2O4/c1-11(20)12-7-8-15(18-22)16(10-12)23-14-6-4-5-13(9-14)17(21)19(2)3/h4-11,18,20,22H,1-3H3/t11-/m0/s1
InChIKey: YIOUWEBZKIOOOI-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O
CACTVS 3.385C[C@H](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1
CACTVS 3.385C[CH](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1
OpenEye OEToolkits 2.0.4C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O
ACDLabs 12.01O=C(N(C)C)c2cc(Oc1cc(C(C)O)ccc1NO)ccc2
Name:3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide
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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