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BioLiP

PDB CCD ID: Q7L
Number of entries in BioLiP: 10
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKey: LOPAFWMOCZGHFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(cc2OCOc12)c1cc[NH]n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1c3cc[nH]n3)OCO2
CACTVS 3.385C1Oc2ccc(cc2O1)c3cc[nH]n3
Name:(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
ZINC: ZINC000001390251
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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