Structure of PDB 7ss7 Chain A Binding Site BS03 |
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Ligand ID | BN8 |
InChI | InChI=1S/C24H29ClF3N5O5S/c25-18-14-17(24(26,27)28)15-20(16-18)32-10-12-33(13-11-32)39(37,38)21-7-5-19(6-8-21)30-23(35)29-9-3-1-2-4-22(34)31-36/h5-8,14-16,36H,1-4,9-13H2,(H,31,34)(H2,29,30,35) |
InChIKey | GMLRUFCQNBOXDH-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | ONC(=O)CCCCCNC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)c3cc(Cl)cc(c3)C(F)(F)F | OpenEye OEToolkits 2.0.7 | c1cc(ccc1NC(=O)NCCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F | ACDLabs 12.01 | O=S(=O)(c1ccc(NC(=O)NCCCCCC(=O)NO)cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F |
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Formula | C24 H29 Cl F3 N5 O5 S |
Name | 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7ss7 Chain A Residue 303
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Enzyme Commision number |
3.6.1.54: UDP-2,3-diacylglucosamine diphosphatase. |
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