SEQ2FUN

BioLiP

PDB CCD ID: A1BQ3
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F N3 O
InChI: InChI=1S/C9H8FN3O/c1-13-7-3-2-5(10)4-6(7)8(12-13)9(11)14/h2-4H,1H3,(H2,11,14)
InChIKey: GDGNASXSZYDGJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52NC(=O)c1nn(C)c2ccc(F)cc21
OpenEye OEToolkits 3.1.0.0Cn1c2ccc(cc2c(n1)C(=O)N)F
CACTVS 3.385Cn1nc(C(N)=O)c2cc(F)ccc12
Name:5-fluoro-1-methyl-1H-indazole-3-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).