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BioLiP

PDB CCD ID: R9M
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N O2 S
InChI: InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
InChIKey: OJTQVDTVCPIZQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1csc(n1)CCC(=O)O
CACTVS 3.385OC(=O)CCc1sccn1
ACDLabs 12.01C(C(O)=O)Cc1nccs1
Name:3-(1,3-thiazol-2-yl)propanoic acid
ZINC: ZINC000002583422
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)(download the PDF file).
  • 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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