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Staurosporine

E3L005655
Internal ID: BDB005655
Activity data available Local docking-ready structure
Dock with O14965 Dock with O95835 Dock with P51617 Dock with Q13233 Dock with Q92630
Structure
/e3_file/ligand_db/generated/BDB005655/BDB005655.sdf
Basic Properties
Compound ID
E3L005655
Internal ID
BDB005655
Molecular formula
C28H26N4O3
Molecular weight
466.541000
Exact mass
466.200491
XLogP
4.3540
TPSA
69.4500
HBA / HBD
4 / 2
Rotatable bonds
2
Heavy atoms / rings
35 / 8
Activity summary
IC50 unknown 1.10000000 nM
5 activity record(s) imported
InChIKey
HKSZLNNOFSGOKW-FYTWVXJKSA-N
SMILES
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
Aliases
BDBM130909 (preferred) Staurosporine (source_name) BDBM130909 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
O14965 AURKA;AIK;AIRK1;ARK1;AURA;AYK1;BTAK;IAK1;STK15;STK6
Aurora kinase A		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM130909 medium
; target=Aurora kinase A
O95835 LATS1;WARTS
Serine/threonine-protein kinase LATS1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM130909 medium
; target=Serine/threonine-protein kinase LATS1
P51617 IRAK1;IRAK
Interleukin-1 receptor-associated kinase 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM130909 medium
; target=Interleukin-1 receptor-associated kinase 1
Q13233 MAP3K1;MAPKKK1;MEKK;MEKK1
Mitogen-activated protein kinase kinase kinase 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM130909 medium
; target=Mitogen-activated protein kinase kinase kinase 1
Q92630 DYRK2
Dual specificity tyrosine-phosphorylation-regulated kinase 2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM130909 medium
; target=Dual specificity tyrosine-phosphorylation-regulated kinase 2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM130909 Open - 10.7270/Q2KS6X8V PMID: 27784673
PubChem CID44259 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB005655/BDB005655.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB005655/BDB005655.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB005655/BDB005655.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB005655/BDB005655.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB005655/BDB005655.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Aurora kinase A
O14965
E3 ligase component 		BindingDB:BDBM130909 IC50 1.1 nM Very high DOI: 10.7270/Q2KS6X8V
PMID: 27784673 		1
Dual specificity tyrosine-phosphorylation-regulated kinase 2
Q92630
E3 ligase component 		BindingDB:BDBM130909 IC50 1.6 nM Very high DOI: 10.7270/Q2KS6X8V
PMID: 27784673 		1
Interleukin-1 receptor-associated kinase 1
P51617
E3 ligase component 		BindingDB:BDBM130909 IC50 4 nM Very high DOI: 10.7270/Q2KS6X8V
PMID: 27784673 		1
Mitogen-activated protein kinase kinase kinase 1
Q13233
E3 ligase component 		BindingDB:BDBM130909 IC50 4.7 nM Very high DOI: 10.7270/Q2KS6X8V
PMID: 27784673 		1
Serine/threonine-protein kinase LATS1
O95835
E3 ligase component 		BindingDB:BDBM130909 IC50 1.3 nM Very high DOI: 10.7270/Q2KS6X8V
PMID: 27784673 		1