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BioLiP Library

PDB CCD ID: A1D8X
Number of entries in BioLiP: 2
Chemical formula: C10 H11 F N2 O
InChI: InChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
InChIKey: IOHOUWIYOVWGHV-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(F)cccc1[C@H]2COC(=N2)N
CACTVS 3.385Cc1c(F)cccc1[CH]2COC(=N2)N
OpenEye OEToolkits 2.0.7Cc1c(cccc1F)[C@H]2COC(=N2)N
OpenEye OEToolkits 2.0.7Cc1c(cccc1F)C2COC(=N2)N
Name:(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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