SEQ2FUN

BioLiP

PDB CCD ID: YG5
Number of entries in BioLiP: 7
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKey: AOLISVCNSODKGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1
Name:2-(1H-indazol-1-yl)-N,N-dimethylacetamide
ChEMBL: CHEMBL4540215
ZINC: ZINC000096404712
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).