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BioLiP

PDB CCD ID: JPM
Number of entries in BioLiP: 4
Chemical formula: C19 H14 Cl2 O2
InChI: InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
InChIKey: LUMKUDPYQGEIPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341Oc1cc(Cc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
ACDLabs 10.04Clc3cc(Cl)ccc3Oc1ccc(cc1O)Cc2ccccc2
Name:5-benzyl-2-(2,4-dichlorophenoxy)phenol
ChEMBL: CHEMBL405973
ZINC: ZINC000029061009
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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