SEQ2FUN

BioLiP

PDB CCD ID: A1ILP
Number of entries in BioLiP: 1
Chemical formula: C15 H16 F N3 O4
InChI: InChI=1S/C15H16FN3O4/c1-2-13-11(6-19-23-13)8-3-9(5-10(16)4-8)14(20)18-7-12(17)15(21)22/h3-6,12H,2,7,17H2,1H3,(H,18,20)(H,21,22)/t12-/m1/s1
InChIKey: SFERCLORGFKWPI-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(cno1)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N
CACTVS 3.385CCc1oncc1c2cc(F)cc(c2)C(=O)NC[CH](N)C(O)=O
CACTVS 3.385CCc1oncc1c2cc(F)cc(c2)C(=O)NC[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCc1c(cno1)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N
Name:(2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
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).