SEQ2FUN

BioLiP

PDB CCD ID: SYX
Number of entries in BioLiP: 3
Chemical formula: C10 H18 N2 O2
InChI: InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKey: ZSHARPJAQXGCMB-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1CCN(CC1)C(=O)[C@H]2CCCO2
OpenEye OEToolkits 2.0.7CN1CCN(CC1)C(=O)C2CCCO2
ACDLabs 12.01O=C(N1CCN(C)CC1)C1CCCO1
CACTVS 3.385CN1CCN(CC1)C(=O)[CH]2CCCO2
Name:(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
ZINC: ZINC000023379509
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).