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BioLiP

PDB CCD ID: BU4
Number of entries in BioLiP: 16
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKey: PUPZLCDOIYMWBV-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C[C@@H](O)CCO
OpenEye OEToolkits 1.7.0C[C@H](CCO)O
CACTVS 3.352C[CH](O)CCO
OpenEye OEToolkits 1.7.0CC(CCO)O
Name:(3R)-butane-1,3-diol
ZINC: ZINC000002041097
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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