SEQ2FUN

BioLiP

PDB CCD ID: UQB
Number of entries in BioLiP: 1
Chemical formula: C8 H10 F N O
InChI: InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1
InChIKey: LPKXWVNNGWDLMT-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@H](CN)O)F
CACTVS 3.385NC[C@H](O)c1ccc(F)cc1
CACTVS 3.385NC[CH](O)c1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(CN)O)F
Name:(1R)-2-amino-1-(4-fluorophenyl)ethanol;
(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol
ZINC: ZINC000002040653
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).