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BioLiP Library

PDB CCD ID: 6VF
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N O3
InChI: InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1
InChIKey: QZVJNWITXFDEFK-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CO
OpenEye OEToolkits 2.0.5c1cc(ccc1CC(C(CO)O)N)O
CACTVS 3.385N[CH](Cc1ccc(O)cc1)[CH](O)CO
OpenEye OEToolkits 2.0.5c1cc(ccc1C[C@@H]([C@H](CO)O)N)O
Name:(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
ZINC: ZINC000584905191
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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