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BioLiP

PDB CCD ID: TCA
Number of entries in BioLiP: 0
Chemical formula: C9 H8 O2
InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)\C=C\c1ccccc1
CACTVS 3.341OC(=O)\C=C\c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C=CC(=O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)\C=C\C(=O)O
CACTVS 3.341OC(=O)C=Cc1ccccc1
Name:PHENYLETHYLENECARBOXYLIC ACID
ChEMBL: CHEMBL27246
DrugBank: DB18313
ZINC: ZINC000016051516
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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