SEQ2FUN

BioLiP

PDB CCD ID: A1BJ4
Number of entries in BioLiP: 1
Chemical formula: C7 H6 Br N3 O
InChI: InChI=1S/C7H6BrN3O/c8-4-1-5-7(9-2-4)11-6(3-12)10-5/h1-2,12H,3H2,(H,9,10,11)
InChIKey: SRDOBLPQJXFKIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1[nH]c2cc(Br)cnc2n1
OpenEye OEToolkits 3.1.0.0c1c(cnc2c1[nH]c(n2)CO)Br
ACDLabs 14.52Brc1cc2[NH]c(nc2nc1)CO
Name:(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanol
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).