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BioLiP

PDB CCD ID: PBQ
Number of entries in BioLiP: 2
Chemical formula: C10 H4 Br5 N O
InChI: InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
InChIKey: LXMNWKJHYOZUQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br
CACTVS 3.341Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br
ACDLabs 10.04Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br
Name:PENTABROMOPSEUDILIN
ChEMBL: CHEMBL1235156
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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