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BioLiP

PDB CCD ID: A1BQ0
Number of entries in BioLiP: 1
Chemical formula: C12 H12 F N3 O
InChI: InChI=1S/C12H12FN3O/c1-16-10-5-2-7(13)6-9(10)11(15-16)12(17)14-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,14,17)
InChIKey: LJCPETRSDJEEFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cn1c2ccc(cc2c(n1)C(=O)NC3CC3)F
CACTVS 3.385Cn1nc(C(=O)NC2CC2)c3cc(F)ccc13
ACDLabs 14.52Fc1cc2c(cc1)n(C)nc2C(=O)NC1CC1
Name:N-cyclopropyl-5-fluoro-1-methyl-1H-indazole-3-carboxamide
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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