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BioLiP

PDB CCD ID: MFG
Number of entries in BioLiP: 2
Chemical formula: C11 H12 F N
InChI: InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+
InChIKey: CFVUPEQWSFCCFT-MDWZMJQESA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc1ccc(cc1)CCC(=C)/C=[N@H]
OpenEye OEToolkits 1.5.0[H]N=CC(=C)CCc1ccc(cc1)F
CACTVS 3.341Fc1ccc(CCC(=C)C=N)cc1
OpenEye OEToolkits 1.5.0[H]/N=C/C(=C)CCc1ccc(cc1)F
Name:(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
DrugBank: DB08176
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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