SEQ2FUN

BioLiP

PDB CCD ID: CNQ
Number of entries in BioLiP: 8
Chemical formula: C15 H10 Cl N3 O
InChI: InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
InChIKey: FLYGLPYJEQPCFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)c1cccc2ncc(nc12)c3ccc(Cl)cc3
OpenEye OEToolkits 1.5.0c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N
ACDLabs 10.04Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3
Name:3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE;
2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
DrugBank: DB03509
ZINC: ZINC000001489510
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).