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BioLiP

PDB CCD ID: JA9
Number of entries in BioLiP: 2
Chemical formula: C14 H9 Cl3 N2 O S
InChI: InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChIKey: NQPDXQQQCQDHHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1
OpenEye OEToolkits 2.0.7CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl
Name:6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole;
Triclabendazole
ChEMBL: CHEMBL1086440
DrugBank: DB12245
ZINC: ZINC000001444556
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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