SEQ2FUN

BioLiP

PDB CCD ID: A1IPE
Number of entries in BioLiP: 2
Chemical formula: C20 H19 Cl2 N O2
InChI: InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKey: FCOHEOSCARXMMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3
OpenEye OEToolkits 2.0.7CC1=C(C(=O)N(CO1)C(C)(C)c2cc(cc(c2)Cl)Cl)c3ccccc3
Name:Oxaziclomefone;
3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one
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).