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BioLiP

PDB CCD ID: F93
Number of entries in BioLiP: 0
Chemical formula: C9 H10 Cl N O4
InChI: InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
InChIKey: BACZBJKOFPGENQ-SFYZADRCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O
CACTVS 3.385N[C@H]([C@@H](O)c1ccc(O)c(Cl)c1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O
CACTVS 3.385N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
Name:(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
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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