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BioLiP

PDB CCD ID: 1DU
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N2 O
InChI: InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2
InChIKey: DXFBKDSQMUFYLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCCn1nccc1
CACTVS 3.370OCCn1cccn1
OpenEye OEToolkits 1.7.6c1cnn(c1)CCO
Name:2-(1H-pyrazol-1-yl)ethanol
ChEMBL: CHEMBL2323546
ZINC: ZINC000001671842
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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