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BioLiP

PDB CCD ID: XS8
Number of entries in BioLiP: 2
Chemical formula: C9 H10 F N O
InChI: InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChIKey: WVQYSVLMDHXHOV-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)C(CCO2)N
CACTVS 3.385N[C@H]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[C@H](CCO2)N
Name:(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-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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