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BioLiP

PDB CCD ID: S57
Number of entries in BioLiP: 1
Chemical formula: C16 H21 Cl N2 O2
InChI: InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKey: UKVVEWLDHJDSNJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2
ACDLabs 10.04Clc2cc(OC)ccc2OCCCCCCn1ccnc1
CACTVS 3.341COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1
Name:1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE
ChEMBL: CHEMBL1235805
DrugBank: DB08509
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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