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BioLiP

PDB CCD ID: UV5
Number of entries in BioLiP: 4
Chemical formula: C19 H13 F3 N6 O3
InChI: InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30)
InChIKey: QORQCYPXGXBYBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F
OpenEye OEToolkits 2.0.7CNC(=O)c1ccn2c(c1)nc(c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4
Name:3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
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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