SEQ2FUN

BioLiP

PDB CCD ID: A1EAP
Number of entries in BioLiP: 1
Chemical formula: C17 H12 Br N3 O2
InChI: InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
InChIKey: RQGCKMOCOOAGEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N
OpenEye OEToolkits 2.0.7CCc1c(n2ccccc2n1)C(=O)c3cc(c(c(c3)Br)O)C#N
Name:3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile;
Lingdolinurad
ChEMBL: CHEMBL5314527
DrugBank: DB21659
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).