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BioLiP

PDB CCD ID: 7M7
Number of entries in BioLiP: 2
Chemical formula: C24 H17 Br O5 S
InChI: InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H
InChIKey: TXLBJIUVIDPKOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O
ACDLabs 12.01Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O
CACTVS 3.385Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccc(Br)cc4
Name:4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
ZINC: ZINC000584905443
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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