SEQ2FUN

BioLiP

PDB CCD ID: MML
Number of entries in BioLiP: 6
Chemical formula: C10 H14
InChI: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)c1ccc(C)cc1
ACDLabs 12.01c1cc(ccc1C(C)C)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)C(C)C
Name:1-methyl-4-(1-methylethyl)benzene;
p-cymene
ChEMBL: CHEMBL442915
ZINC: ZINC000000968246
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).