SEQ2FUN

BioLiP

PDB CCD ID: 0TI
Number of entries in BioLiP: 4
Chemical formula: C8 H6 F N O2
InChI: InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1
InChIKey: XYDTZHMQTYEJQN-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)C(C(=O)N2)O
CACTVS 3.385O[C@H]1C(=O)Nc2ccc(F)cc12
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)[C@H](C(=O)N2)O
CACTVS 3.385O[CH]1C(=O)Nc2ccc(F)cc12
ACDLabs 12.01c2cc1NC(=O)C(O)c1cc2F
Name:(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
ZINC: ZINC000100380560

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).