SEQ2FUN

BioLiP

PDB CCD ID: A1BRJ
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N4 O2
InChI: InChI=1S/C15H16N4O2/c1-10-12(17-9-21-10)7-8-16-15(20)14-11-5-3-4-6-13(11)19(2)18-14/h3-6,9H,7-8H2,1-2H3,(H,16,20)
InChIKey: JLNHRNVWTVJBTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1c(nco1)CCNC(=O)c2c3ccccc3n(n2)C
ACDLabs 14.52Cn1nc(C(=O)NCCc2ncoc2C)c2ccccc21
CACTVS 3.385Cn1nc(C(=O)NCCc2ncoc2C)c3ccccc13
Name:1-methyl-N-[2-(5-methyl-1,3-oxazol-4-yl)ethyl]-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).