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BioLiP

PDB CCD ID: 174
Number of entries in BioLiP: 3
Chemical formula: C7 H5 Cl O2
InChI: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey: XRHGYUZYPHTUJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(Cl)cc1
ACDLabs 10.04O=C(O)c1ccc(Cl)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)Cl
Name:4-CHLORO-BENZOIC ACID
ChEMBL: CHEMBL618
DrugBank: DB03728
ZINC: ZINC000000156865
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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