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BioLiP

PDB CCD ID: J3K
Number of entries in BioLiP: 1
Chemical formula: C3 H9 N O
InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
InChIKey: HXKKHQJGJAFBHI-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)CN
CACTVS 3.385C[C@@H](O)CN
OpenEye OEToolkits 2.0.6C[C@H](CN)O
OpenEye OEToolkits 2.0.6CC(CN)O
Name:(2~{R})-1-azanylpropan-2-ol
ZINC: ZINC000004658588
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).
  • 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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