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BioLiP

PDB CCD ID: W17
Number of entries in BioLiP: 3
Chemical formula: C6 H9 N3 O2
InChI: InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11)
InChIKey: LHYHSUSQLBMWFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cnn(CCO)c1
ACDLabs 12.01n1n(cc(C(=O)N)c1)CCO
OpenEye OEToolkits 2.0.7c1c(cn(n1)CCO)C(=O)N
Name:1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
ZINC: ZINC000306963371
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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