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BioLiP

PDB CCD ID: VES
Number of entries in BioLiP: 8
Chemical formula: C4 H9 N
InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChIKey: RWRDLPDLKQPQOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1CCNC1
ACDLabs 12.01N1CCCC1
Name:Pyrrolidine
ChEMBL: CHEMBL22830
DrugBank: DB16858
ZINC: ZINC000001690615
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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