SEQ2FUN

BioLiP

PDB CCD ID: HXY
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Br N
InChI: InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKey: UKJIGXJYXLVARZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1CN2CCCC2)Br
ACDLabs 12.01Brc1ccc(cc1)CN2CCCC2
CACTVS 3.385Brc1ccc(CN2CCCC2)cc1
Name:1-(4-bromobenzyl)pyrrolidine
ChEMBL: CHEMBL3414691
ZINC: ZINC000010495249
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).