SEQ2FUN

BioLiP

PDB CCD ID: V87
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13)
InChIKey: FSDTVSVBONVQBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=CNCCCCc1ccccc1
ACDLabs 12.01C(NCCCCc1ccccc1)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCNC=O
Name:N-(4-phenylbutyl)formamide
ChEMBL: CHEMBL4745910
ZINC: ZINC000044122929
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).