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BioLiP

PDB CCD ID: 2HC
Number of entries in BioLiP: 5
Chemical formula: C9 H8 O3
InChI: InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKey: PMOWTIHVNWZYFI-AATRIKPKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C=Cc1ccccc1O
CACTVS 3.341OC(=O)\C=C\c1ccccc1O
ACDLabs 10.04O=C(O)/C=C/c1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=CC(=O)O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)\C=C\C(=O)O)O
Name:(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID;
TRANS-2-HYDROXYCINNAMIC ACID;
O-COUMARIC ACID
ChEMBL: CHEMBL52564
DrugBank: DB01650
ZINC: ZINC000000895911
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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