| Reaction Details |
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 | Report a problem with these data |
| Target | Serine/threonine-protein kinase Chk1 |
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| Ligand | BDBM15247 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_570759 (CHEMBL1026934) |
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| Ki | 7.9±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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| BDBM15247 |
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| n/a |
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| Name | BDBM15247 |
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| Synonyms: | 7-chloro-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaen-3-one | macrocyclic inhibitor 5a |
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| Type | Small organic molecule |
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| Emp. Form. | C16H17ClN4O3 |
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| Mol. Mass. | 348.784 |
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| SMILES | Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3 |
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| Structure | 
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