SEQ2FUN

BioLiP

PDB CCD ID: JYX
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N4
InChI: InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChIKey: XJMMDEAXMWKQMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCn1c2c(cccn2)nc1N
CACTVS 3.385CCn1c(N)nc2cccnc12
Name:3-ethylimidazo[4,5-b]pyridin-2-amine
ChEMBL: CHEMBL5194111
ZINC: ZINC000082583534
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).