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BioLiP

PDB CCD ID: XH4
Number of entries in BioLiP: 3
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
InChIKey: FBDFRVVUQCCDAI-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCC1NNCC1
OpenEye OEToolkits 2.0.7C1CNNC1CO
CACTVS 3.385OC[CH]1CCNN1
OpenEye OEToolkits 2.0.7C1CNN[C@@H]1CO
CACTVS 3.385OC[C@@H]1CCNN1
Name:[(3R)-pyrazolidin-3-yl]methanol
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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