SEQ2FUN

BioLiP

PDB CCD ID: GFX
Number of entries in BioLiP: 2
Chemical formula: C10 H16 F N O3
InChI: InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3
InChIKey: XDMSBWBMQSTLAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C
CACTVS 3.385COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C
ACDLabs 12.01FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C
Name:methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical
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).