SEQ2FUN

BioLiP

PDB CCD ID: 36Y
Number of entries in BioLiP: 4
Chemical formula: C9 H7 Br N2
InChI: InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey: YLIOAWKNPLJMID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccc(cc1)c2c[nH]cn2
OpenEye OEToolkits 1.9.2c1cc(ccc1c2c[nH]cn2)Br
ACDLabs 12.01Brc2ccc(c1ncnc1)cc2
Name:4-(4-bromophenyl)-1H-imidazole
ChEMBL: CHEMBL4227945
ZINC: ZINC000000459533
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).