SEQ2FUN

BioLiP

PDB CCD ID: 49F
Number of entries in BioLiP: 2
Chemical formula: C7 H15 N O
InChI: InChI=1S/C7H15NO/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKey: XSVHOPJZMMLWKO-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2COCCC1CCCN1
CACTVS 3.385
OpenEye OEToolkits 1.9.2		COCC[C@@H]1CCCN1
CACTVS 3.385COCC[CH]1CCCN1
ACDLabs 12.01O(C)CCC1NCCC1
Name:(2S)-2-(2-methoxyethyl)pyrrolidine
ZINC: ZINC000057660768
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).