SEQ2FUN

BioLiP

PDB CCD ID: 2JM
Number of entries in BioLiP: 1
Chemical formula: C10 H5 Br4 N O
InChI: InChI=1S/C10H5Br4NO/c11-5-3-1-2-4(9(5)16)8-6(12)7(13)10(14)15-8/h1-3,15-16H
InChIKey: ICQYFNOAENEHOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc2c(c1cccc(Br)c1O)nc(Br)c2Br
CACTVS 3.385Oc1c(Br)cccc1c2[nH]c(Br)c(Br)c2Br
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br
Name:2-bromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
ZINC: ZINC000095920665
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).