SEQ2FUN

BioLiP

PDB CCD ID: WY9
Number of entries in BioLiP: 8
Chemical formula: C18 H19 N3 O4
InChI: InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKey: AMAOXEGBJHLCSF-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3ccc(c(c3)OC)C
OpenEye OEToolkits 2.0.7CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3ccc(c(c3)OC)C
CACTVS 3.385CC[C@H]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
CACTVS 3.385CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
Name:(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione

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).