SEQ2FUN

BioLiP

PDB CCD ID: N4X
Number of entries in BioLiP: 3
Chemical formula: C18 H21 N3 O
InChI: InChI=1S/C18H21N3O/c1-18(2)13-20(17(19)22)15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,19,22)
InChIKey: FMYXSWJEOXUWRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(CN(c2ccccc2N1Cc3ccccc3)C(=O)N)C
CACTVS 3.385CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3
Name:3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide
ChEMBL: CHEMBL5280447
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).