SEQ2FUN

BioLiP

PDB CCD ID: A1CG9
Number of entries in BioLiP: 2
Chemical formula: C18 H14 Br N3 O
InChI: InChI=1S/C18H14BrN3O/c1-12-6-2-3-8-14(12)20-18-16(15-9-5-11-23-15)21-17-13(19)7-4-10-22(17)18/h2-11,20H,1H3
InChIKey: SHDJKACIDYOZNA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1
OpenEye OEToolkits 3.1.0.0Cc1ccccc1Nc2c(nc3n2cccc3Br)c4ccco4
CACTVS 3.385Cc1ccccc1Nc2n3cccc(Br)c3nc2c4occc4
Name:(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
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).