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BioLiP

PDB CCD ID: K69
Number of entries in BioLiP: 1
Chemical formula: C17 H20 N6 O2
InChI: InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)
InChIKey: VTZPEUOJZAUNMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)N4CCOCC4
CACTVS 3.385CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12
Name:1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one
ZINC: ZINC000006794095
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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