SEQ2FUN

BioLiP

PDB CCD ID: S8V
Number of entries in BioLiP: 1
Chemical formula: C8 H15 N O
InChI: InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
InChIKey: XTBAPHZUOIOBDQ-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1C[CH](CNC2CC2)CO1
CACTVS 3.385C1C[C@@H](CNC2CC2)CO1
OpenEye OEToolkits 2.0.6C1COC[C@@H]1CNC2CC2
OpenEye OEToolkits 2.0.6C1CC1NCC2CCOC2
Name:~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
ZINC: ZINC000022562148
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).