SEQ2FUN

BioLiP

PDB CCD ID: 7Z3
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2
InChI: InChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
InChIKey: BXTWTBYGOKOWQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)N2CCCC2)CN
ACDLabs 12.01c1ccc(cc1CN)N2CCCC2
CACTVS 3.385NCc1cccc(c1)N2CCCC2
Name:1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE;
CC38513
ZINC: ZINC000004271686
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).