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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: LJ1
Number of entries in BioLiP: 2
Chemical formula: C16 H16 O
InChI: InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
InChIKey: PAHKYLUYTGBFNW-CMDGGOBGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1cc(\C=C\c2ccccc2)cc(C)c1O
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1O)C)C=Cc2ccccc2
CACTVS 3.341Cc1cc(C=Cc2ccccc2)cc(C)c1O
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1O)C)\C=C\c2ccccc2
ACDLabs 10.04Oc2c(cc(\C=C\c1ccccc1)cc2C)C
Name:2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol;
3,5-Dimethyl-4-hydroxystilbene
ChEMBL: CHEMBL55960
DrugBank: DB08100
ZINC: ZINC000029548831

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).
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