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BioLiP

PDB CCD ID: F2M
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+
InChIKey: DBDADMSUVDNQKI-ZZXKWVIFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C\C=C\N(C)Cc1occc1
CACTVS 3.385CC=CN(C)Cc1occc1
OpenEye OEToolkits 2.0.6C/C=C/N(C)Cc1ccco1
OpenEye OEToolkits 2.0.6CC=CN(C)Cc1ccco1
Name:(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine;
F2MPA
ZINC: ZINC000584905538
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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