SEQ2FUN

BioLiP

PDB CCD ID: A1BL4
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c12-8-3-7(11(15)16)4-14-5-9(6-1-2-6)13-10(8)14/h3-6H,1-2,12H2,(H,15,16)
InChIKey: SSRMPGBWVZOART-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c(cn2cc(nc2c1N)C3CC3)C(=O)O
ACDLabs 14.52O=C(O)c1cc(N)c2nc(cn2c1)C1CC1
CACTVS 3.385Nc1cc(cn2cc(nc12)C3CC3)C(O)=O
Name:(4R)-8-amino-2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
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).