SEQ2FUN

BioLiP

PDB CCD ID: TJX
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N3
InChI: InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2
InChIKey: JOQDUOWWWPMEHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCc1cc2nccn2cc1
OpenEye OEToolkits 2.0.7c1cn2ccnc2cc1CN
CACTVS 3.385NCc1ccn2ccnc2c1
Name:1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine
ZINC: ZINC000036243342
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).