SEQ2FUN

BioLiP

PDB CCD ID: IDL
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O2
InChI: InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
InChIKey: ZVBVKRNOISRONE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.7.6c1ccn2c(c1)ncc2CC(=O)O
ACDLabs 12.01O=C(O)Cc1cnc2ccccn12
Name:imidazo[1,2-a]pyridin-3-ylacetic acid
ZINC: ZINC000087612805
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).