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BioLiP

PDB CCD ID: QZA
Number of entries in BioLiP: 0
Chemical formula: C4 H10 Cl N O
InChI: InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
InChIKey: FOPDWNYRGFVVRV-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(CCl)O)N
ACDLabs 12.01NC(C)C(CCl)O
OpenEye OEToolkits 2.0.7C[C@@H]([C@H](CCl)O)N
CACTVS 3.385C[CH](N)[CH](O)CCl
CACTVS 3.385C[C@H](N)[C@@H](O)CCl
Name:(2R,3S)-3-amino-1-chlorobutan-2-ol;
(3S)-3-amino-1-chlorobutan-2-one, bound form
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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