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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: JPA
Number of entries in BioLiP: 4
Chemical formula: C19 H14 Cl2 O2
InChI: InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKey: VDWAWADVXJMBAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
ACDLabs 10.04Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O
Name:4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL
ChEMBL: CHEMBL261708
ZINC: ZINC000016052044

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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