Reaction Details |
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Target | 2-dehydropantoate 2-reductase |
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Ligand | BDBM50192451 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_382751 (CHEMBL854530) |
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Kd | 5800±n/a nM |
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Citation | Ciulli, A; Williams, G; Smith, AG; Blundell, TL; Abell, C Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods. J Med Chem49:4992-5000 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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2-dehydropantoate 2-reductase |
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Name: | 2-dehydropantoate 2-reductase |
Synonyms: | Ketopantoate reductase | PANE_ECOLI | apbA | panE |
Type: | PROTEIN |
Mol. Mass.: | 33866.35 |
Organism: | Escherichia coli (strain K12) |
Description: | ChEMBL_382751 |
Residue: | 303 |
Sequence: | MKITVLGCGALGQLWLTALCKQGHEVQGWLRVPQPYCSVNLVETDGSIFNESLTANDPDF
LATSDLLLVTLKAWQVSDAVKSLASTLPVTTPILLIHNGMGTIEELQNIQQPLLMGTTTH
AARRDGNVIIHVANGITHIGPARQQDGDYSYLADILQTVLPDVAWHNNIRAELWRKLAVN
CVINPLTAIWNCPNGELRHHPQEIMQICEEVAAVIEREGHHTSAEDLRDYVMQVIDATAE
NISSMLQDIRALRHTEIDYINGFLLRRARAHGIAVPENTRLFEMVKRKESEYERIGTGLP
RPW
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BDBM50192451 |
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n/a |
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Name | BDBM50192451 |
Synonyms: | CHEMBL213053 | NADP+ |
Type | Small organic molecule |
Emp. Form. | C21H25N7O17P3 |
Mol. Mass. | 740.3828 |
SMILES | NC(=O)c1ccc[n+](c1)C1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |
Structure |
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