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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: HC4
Number of entries in BioLiP: 0
Chemical formula: C9 H8 O3
InChI: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=CC(=O)O)O
CACTVS 3.341OC(=O)\C=C\c1ccc(O)cc1
CACTVS 3.341OC(=O)C=Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\C(=O)O)O
ACDLabs 10.04O=C(O)/C=C/c1ccc(O)cc1
Name:4'-HYDROXYCINNAMIC ACID;
PARA-COUMARIC ACID
ChEMBL: CHEMBL66879
DrugBank: DB04066
ZINC: ZINC000000039811

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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