SEQ2FUN

BioLiP

PDB CCD ID: N4B
Number of entries in BioLiP: 2
Chemical formula: C10 H14
InChI: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCc1ccccc1
ACDLabs 10.04c1ccccc1CCCC
Name:N-BUTYLBENZENE
ChEMBL: CHEMBL195441
ZINC: ZINC000001586756
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).