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BioLiP

PDB CCD ID: P0B
Number of entries in BioLiP: 2
Chemical formula: C13 H13 Cl F N3 O2
InChI: InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20)
InChIKey: WRXCNKOWDSUZRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2
CACTVS 3.385CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl
Name:6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
ZINC: ZINC000044867504
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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