SEQ2FUN

BioLiP

PDB CCD ID: 8PB
Number of entries in BioLiP: 1
Chemical formula: C5 H11 N O
InChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CC[C@H](C1)O
CACTVS 3.385CN1CC[C@@H](O)C1
OpenEye OEToolkits 2.0.7CN1CCC(C1)O
CACTVS 3.385CN1CC[CH](O)C1
Name:(3R)-1-methylpyrrolidin-3-ol;
(R)-3-Hydroxy-1-methylpyrrolidine
ZINC: ZINC000000404446
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).