| Reaction Details |
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 | Report a problem with these data |
| Target | Serine/threonine-protein kinase Chk1 |
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| Ligand | BDBM14717 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_570759 (CHEMBL1026934) |
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| Ki | 10±n/a nM |
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| Citation |  Brown, SP; Muchmore, SW Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes. J Med Chem52:3159-65 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Serine/threonine-protein kinase Chk1 |
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| Name: | Serine/threonine-protein kinase Chk1 |
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| Synonyms: | CHEK1 | CHK1 | CHK1 checkpoint homolog | CHK1_HUMAN | Checkpoint kinase-1 (CHK1) |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 54443.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_166295192 |
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| Residue: | 476 |
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| Sequence: | MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINK
MLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVY
LHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLK
RREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLA
LLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDF
SPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLL
GTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRR
NNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT
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| BDBM14717 |
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| n/a |
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| Name | BDBM14717 |
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| Synonyms: | 1-(5-chloro 2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea | 3-(5-chloro-2,4-dimethoxyphenyl)-1-(5-cyanopyrazin-2-yl)urea | Urea Compound 2 |
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| Type | Small Organic Molecule |
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| Emp. Form. | C14H12ClN5O3 |
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| Mol. Mass. | 333.73 |
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| SMILES | COc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl |
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| Structure | 
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