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BioLiP

PDB CCD ID: RU5
Number of entries in BioLiP: 1
Chemical formula: C20 H14 Cl N3 O2
InChI: InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKey: UXGJAOIJSROTTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3)cc4
OpenEye OEToolkits 1.9.2c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl
CACTVS 3.385NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4ccc(Cl)cc4)cc3
Name:2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
ChEMBL: CHEMBL179583
ZINC: ZINC000003815901
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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