SEQ2FUN

BioLiP

PDB CCD ID: PBN
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N
InChI: InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey: AGNFWIZBEATIAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCN
ACDLabs 10.04c1ccccc1CCCCN
CACTVS 3.341NCCCCc1ccccc1
Name:4-PHENYLBUTYLAMINE
ChEMBL: CHEMBL79512
DrugBank: DB04311
ZINC: ZINC000002567989
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).