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BioLiP

PDB CCD ID: K68
Number of entries in BioLiP: 1
Chemical formula: C9 H4 Br4 N2 O2
InChI: InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
InChIKey: WIMPWBKZHKEQQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br
CACTVS 3.352OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
Name:(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid
ChEMBL: CHEMBL594575
ZINC: ZINC000045351746
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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