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BioLiP

PDB CCD ID: UVY
Number of entries in BioLiP: 1
Chemical formula: C7 H12 N2 O
InChI: InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3
InChIKey: GQXSHPZGPIOSHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1cc(CCO)cn1
OpenEye OEToolkits 2.0.7CCn1cc(cn1)CCO
ACDLabs 12.01n1cc(CCO)cn1CC
Name:2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
ZINC: ZINC000053751892
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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