SEQ2FUN

BioLiP

PDB CCD ID: A1BTJ
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N5 O
InChI: InChI=1S/C15H17N5O/c1-19-9-11(17-10-19)7-8-16-15(21)14-12-5-3-4-6-13(12)20(2)18-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)
InChIKey: NQHLIPQTOQIZAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cnc(CCNC(=O)c2nn(C)c3ccccc23)c1
ACDLabs 14.52Cn1cc(nc1)CCNC(=O)c1nn(C)c2ccccc21
OpenEye OEToolkits 3.1.0.0Cn1cc(nc1)CCNC(=O)c2c3ccccc3n(n2)C
Name:1-methyl-N-[2-(1-methyl-1H-imidazol-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).