SEQ2FUN

BioLiP

PDB CCD ID: 628
Number of entries in BioLiP: 1
Chemical formula: C20 H14 Cl2 N4 O3 S
InChI: InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)
InChIKey: UQAWGIKJINAKIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl
ACDLabs 10.04O=S(=O)(N)c1ccc(cc1)Nc2nc3ccc(cn3c2)C(=O)c4c(Cl)cccc4Cl
CACTVS 3.341N[S](=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c4c(Cl)cccc4Cl)cc1
Name:4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE;
PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE
ChEMBL: CHEMBL182260
DrugBank: DB04607
ZINC: ZINC000012504436
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).