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BioLiP

PDB CCD ID: THO
Number of entries in BioLiP: 0
Chemical formula: C4 H11 N O2
InChI: InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
InChIKey: MUVQIIBPDFTEKM-QWWZWVQMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CO)N)O
CACTVS 3.341C[CH](O)[CH](N)CO
ACDLabs 10.04OCC(N)C(O)C
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](CO)N)O
CACTVS 3.341C[C@@H](O)[C@H](N)CO
Name:REDUCED THREONINE
DrugBank: DB01724
ZINC: ZINC000002436826
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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