| PDB CCD ID: | SWH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H20 B F N O6 S |
| InChI: | InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13- |
| InChIKey: | PZWLRHOIUSLISO-XKZIYDEJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | [B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O | | CACTVS 3.352 | O[B-](O)(O)c1ccc(COc2ccc(cc2)C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc1 | | OpenEye OEToolkits 1.6.1 | [B-](c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O | | CACTVS 3.352 | O[B-](O)(O)c1ccc(COc2ccc(cc2)/C=C/3SC(=O)N(Cc4ccc(F)cc4)C/3=O)cc1 | | ACDLabs 10.04 | O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=C\c4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4 |
|
| Name: | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-);
HA155 INHIBITOR |
| ZINC: | ZINC000198319664 |
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