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BioLiP

PDB CCD ID: A1BE8
Number of entries in BioLiP: 1
Chemical formula: C10 H13 F N2 O
InChI: InChI=1S/C10H13FN2O/c1-10(14)5-7(6-10)13-9-8(11)3-2-4-12-9/h2-4,7,14H,5-6H2,1H3,(H,12,13)/t7-,10+
InChIKey: URAQAFQZSFUVGH-WKFQBHICSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@]1(O)C[C@@H](C1)Nc2ncccc2F
OpenEye OEToolkits 3.1.0.0CC1(CC(C1)Nc2c(cccn2)F)O
ACDLabs 14.52CC1(O)CC(Nc2ncccc2F)C1
CACTVS 3.385C[C]1(O)C[CH](C1)Nc2ncccc2F
Name:(1r,3r)-3-[(3-fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol
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).
  • 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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