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BioLiP

PDB CCD ID: C62
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N2 O5 S2
InChI: InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
InChIKey: JNPRTUHVCHGFHJ-GHXNOFRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2ccc(o2)C=C3C(=O)NC(=O)S3)S(=O)(=O)N
OpenEye OEToolkits 1.5.0c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=O)NC3=O
CACTVS 3.341N[S](=O)(=O)c1ccc(cc1)c2oc(cc2)\C=C3/SC(=O)NC3=O
ACDLabs 10.04O=C1C(\SC(=O)N1)=C\c3oc(c2ccc(cc2)S(=O)(=O)N)cc3
Name:4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
ChEMBL: CHEMBL232148
DrugBank: DB07531

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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