SEQ2FUN

BioLiP

PDB CCD ID: MFC
Number of entries in BioLiP: 0
Chemical formula: C15 H16 F N3 O5
InChI: InChI=1S/C15H16FN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
InChIKey: QLZXNQSTTQYOCH-QHUHAOFSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(O)c(F)c2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0CC(C(C1=NC(=Cc2ccc(c(c2)F)O)C(=O)N1CC(=O)O)N)O
ACDLabs 10.04Fc1c(O)ccc(c1)\C=C2/N=C(N(C2=O)CC(=O)O)C(N)C(O)C
Name:5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE
ZINC: ZINC000058638366
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).