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BioLiP

PDB CCD ID: HKZ
Number of entries in BioLiP: 1
Chemical formula: C21 H16 Cl2 N2 O
InChI: InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3
InChIKey: YQPVLABIYDUDBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl
OpenEye OEToolkits 2.0.6Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4
Name:1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
ChEMBL: CHEMBL4554462
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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