SEQ2FUN

BioLiP

PDB CCD ID: I4B
Number of entries in BioLiP: 1
Chemical formula: C10 H14
InChI: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)Cc1ccccc1
ACDLabs 10.04c1ccccc1CC(C)C
Name:ISOBUTYLBENZENE
ChEMBL: CHEMBL195882
ZINC: ZINC000001615327
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).