SEQ2FUN

BioLiP

PDB CCD ID: QEJ
Number of entries in BioLiP: 0
Chemical formula: C5 H8 N2
InChI: InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h5,7H,1-3H2/t5-/m0/s1
InChIKey: ALSCEGDXFJIYES-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#CC1NCCC1
OpenEye OEToolkits 1.9.2C1CC(NC1)C#N
CACTVS 3.385N#C[CH]1CCCN1
OpenEye OEToolkits 1.9.2C1C[C@H](NC1)C#N
CACTVS 3.385N#C[C@@H]1CCCN1
Name:(2S)-pyrrolidine-2-carbonitrile
ChEMBL: CHEMBL1076165
ZINC: ZINC000022005601
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).