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BioLiP

PDB CCD ID: 5F5
Number of entries in BioLiP: 2
Chemical formula: C10 H7 N O2 S
InChI: InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKey: BLFSSABBFANDKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)C(=O)O)c2nccs2
CACTVS 3.385OC(=O)c1cccc(c1)c2sccn2
ACDLabs 12.01c2(c1sccn1)cccc(c2)C(O)=O
Name:3-(1,3-thiazol-2-yl)benzoic acid
ChEMBL: CHEMBL3967375
ZINC: ZINC000004253950
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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