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BioLiP

PDB CCD ID: T1K
Number of entries in BioLiP: 2
Chemical formula: C15 H16 N4 O
InChI: InChI=1S/C15H16N4O/c1-3-18(2)14-10-12(11-6-4-5-7-13(11)20)17-15-16-8-9-19(14)15/h4-10,20H,3H2,1-2H3
InChIKey: SYAAVLGXDXOBNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(C)c1cc(nc2nccn12)c3ccccc3O
OpenEye OEToolkits 2.0.7CCN(C)c1cc(nc2n1ccn2)c3ccccc3O
Name:2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
ChEMBL: CHEMBL4763766
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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