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BioLiP

PDB CCD ID: 4TB
Number of entries in BioLiP: 4
Chemical formula: C8 H10 O2 S
InChI: InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
InChIKey: VYTXLSQVYGNWLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCc1sccc1
ACDLabs 10.04O=C(O)CCCc1sccc1
OpenEye OEToolkits 1.5.0c1cc(sc1)CCCC(=O)O
Name:4-(2-THIENYL)BUTYRIC ACID
ChEMBL: CHEMBL1230333
DrugBank: DB02434
ZINC: ZINC000000404469
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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