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BioLiP

PDB CCD ID: Y1R
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N2 O
InChI: InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1
InChIKey: CABHXTNYNGUYFF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(O)c1ccn[NH]1
OpenEye OEToolkits 2.0.7C[C@@H](c1ccn[nH]1)O
CACTVS 3.385C[C@H](O)c1[nH]ncc1
OpenEye OEToolkits 2.0.7CC(c1ccn[nH]1)O
CACTVS 3.385C[CH](O)c1[nH]ncc1
Name:(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol
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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