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BioLiP Library

PDB CCD ID: 4W5
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey: SKABXDPLIJIWLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c1cnnc1ccc2C(=O)OCC
CACTVS 3.385CCOC(=O)c1ccc2n[nH]cc2c1
OpenEye OEToolkits 1.9.2CCOC(=O)c1ccc2c(c1)c[nH]n2
Name:ethyl 2H-indazole-5-carboxylate
ZINC: ZINC000001420666
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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