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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: SN1
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey: HGEFWFBFQKWVMY-DUXPYHPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1O)O)C=CC(=O)O
CACTVS 3.341OC(=O)C=Cc1ccc(O)cc1O
CACTVS 3.341OC(=O)\C=C\c1ccc(O)cc1O
ACDLabs 10.04O=C(O)/C=C/c1ccc(O)cc1O
OpenEye OEToolkits 1.5.0c1cc(c(cc1O)O)\C=C\C(=O)O
Name:2,4-DIHYDROXY-TRANS CINNAMIC ACID
ChEMBL: CHEMBL1235981
DrugBank: DB01704
ZINC: ZINC000002043461

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).
  • 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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