Reaction Details |
| Report a problem with these data |
Target | Serine/threonine-protein kinase Chk1 |
---|
Ligand | BDBM50224891 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_570759 (CHEMBL1026934) |
---|
Ki | 0.316228±n/a nM |
---|
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 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Serine/threonine-protein kinase Chk1 |
---|
Name: | Serine/threonine-protein kinase Chk1 |
Synonyms: | CHEK1 | CHK1 | CHK1 checkpoint homolog | CHK1_HUMAN | Checkpoint kinase-1 (CHK1) |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 54443.02 |
Organism: | Homo sapiens (Human) |
Description: | gi_166295192 |
Residue: | 476 |
Sequence: | MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINK
MLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVY
LHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLK
RREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLA
LLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDF
SPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLL
GTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRR
NNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT
|
|
|
BDBM50224891 |
---|
n/a |
---|
Name | BDBM50224891 |
Synonyms: | (Z)-8-amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,13,17,19-heptaene-18-carbonitrile | 8-Amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(20),5(10),6,8,13,17(21),18-heptaene-18-carbonitrile | CHEMBL249363 |
Type | Small organic molecule |
Emp. Form. | C16H13ClN6O3 |
Mol. Mass. | 372.766 |
SMILES | Nc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N |c:6| |
Structure |
|