SEQ2FUN

BioLiP

PDB CCD ID: MKV
Number of entries in BioLiP: 1
Chemical formula: C4 H2 Br3 N
InChI: InChI=1S/C4H2Br3N/c5-2-1-8-4(7)3(2)6/h1,8H
InChIKey: KYSLACCYHUAOAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c(c([nH]1)Br)Br)Br
ACDLabs 12.01c1(c(Br)c(Br)cn1)Br
CACTVS 3.385Brc1[nH]cc(Br)c1Br
Name:2,3,4-tribromo-1H-pyrrole
ChEMBL: CHEMBL468902
ZINC: ZINC000006091048
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).