Reaction Details |
| Report a problem with these data |
Target | Serine/threonine-protein kinase Chk1 |
---|
Ligand | BDBM50221585 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_570759 (CHEMBL1026934) |
---|
Ki | 13±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
|
|
|
BDBM50221585 |
---|
n/a |
---|
Name | BDBM50221585 |
Synonyms: | 3-(4-(1H-tetrazol-5-yl)phenyl)-6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazole | 6,7-dimethoxy-3-[4-(2H-tetrazol-5-yl)-phenyl]-2,4-dihydro-indeno[1,2-c]pyrazole | CHEMBL245605 | Chk1_123 |
Type | Small organic molecule |
Emp. Form. | C19H16N6O2 |
Mol. Mass. | 360.3693 |
SMILES | COc1cc2Cc3c([nH]nc3-c3ccc(cc3)-c3nnn[nH]3)-c2cc1OC |
Structure |
|