SEQ2FUN

BioLiP

PDB CCD ID: P2Y
Number of entries in BioLiP: 4
Chemical formula: C5 H12 N2
InChI: InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1
InChIKey: AUKXFNABVHIUAC-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)CN
OpenEye OEToolkits 1.5.0C1CC(NC1)CN
ACDLabs 10.04NCC1NCCC1
CACTVS 3.341NC[C@@H]1CCCN1
Name:(2S)-PYRROLIDIN-2-YLMETHYLAMINE
DrugBank: DB03253
ZINC: ZINC000039357503
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).