SEQ2FUN

BioLiP

PDB CCD ID: WM7
Number of entries in BioLiP: 2
Chemical formula: C11 H16 N2
InChI: InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m0/s1
InChIKey: NFLXIAUKMQBTMN-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC2CCNC2
CACTVS 3.385C1C[CH](CN1)NCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN[C@H]2CCNC2
ACDLabs 12.01c2cccc(CNC1CCNC1)c2
CACTVS 3.385C1C[C@@H](CN1)NCc2ccccc2
Name:(3S)-N-benzylpyrrolidin-3-amine
ZINC: ZINC000022198599
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).