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BioLiP

PDB CCD ID: IW2
Number of entries in BioLiP: 2
Chemical formula: C14 H10 Br2 Cl2 O
InChI: InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2
InChIKey: ZTXSVCNYFKOGBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02Brc1cc(cc(Br)c1O)CCc2c(Cl)cccc2Cl
CACTVS 3.352Oc1c(Br)cc(CCc2c(Cl)cccc2Cl)cc1Br
OpenEye OEToolkits 1.7.0c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl
Name:2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol
ChEMBL: CHEMBL1233691
ZINC: ZINC000058649598
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)(download the PDF file).
  • 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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