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BioLiP

PDB CCD ID: XZX
Number of entries in BioLiP: 2
Chemical formula: C9 H9 Cl2 N O2
InChI: InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1
InChIKey: ZJXPSNBSBSJSOE-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)Nc1cc(cc(c1)Cl)Cl)O
CACTVS 3.385C[C@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1
ACDLabs 12.01Clc1cc(NC(=O)C(C)O)cc(Cl)c1
CACTVS 3.385C[CH](O)C(=O)Nc1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 2.0.7CC(C(=O)Nc1cc(cc(c1)Cl)Cl)O
Name:(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide

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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