SEQ2FUN

BioLiP

PDB CCD ID: JD6
Number of entries in BioLiP: 4
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3
InChIKey: QBZGAULXCVZXFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cc2nc(C)c(C)nc2cc1
OpenEye OEToolkits 2.0.7Cc1c(nc2cc(ccc2n1)N)C
CACTVS 3.385Cc1nc2ccc(N)cc2nc1C
Name:2,3-dimethylquinoxalin-6-amine
ChEMBL: CHEMBL4548867
ZINC: ZINC000000169546
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).