UCSF

ZINC66066276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 34 Yes

Popular Name: BRD-K64857848-001-01-5 BRD-K64857848-001-01-5

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 13.3 -85.75 3 9 2 83 461.57 4 ↓
Hi High (pH 8-9.5) 3.64 10.44 -12.09 1 9 0 80 459.554 4 ↓
Mid Mid (pH 6-8) 3.64 12.8 -49.47 2 9 1 82 460.562 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACK1-1-E Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.26 Binding ≤ 10μM
DCLK1-1-E Serine/threonine-protein Kinase DCLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
DCLK2-1-E Serine/threonine-protein Kinase DCLK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.33 Binding ≤ 10μM
GAK-1-E Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic Eukaryotes 450 0.26 Binding ≤ 10μM
MK07-1-E Mitogen-activated Protein Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.28 Binding ≤ 10μM
TNK1-1-E Non-receptor Tyrosine-protein Kinase TNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK07_HUMAN Q13164 Mitogen-activated Protein Kinase 7, Human 190 0.28 Binding ≤ 1μM
TNK1_HUMAN Q13470 Non-receptor Tyrosine-protein Kinase TNK1, Human 29 0.31 Binding ≤ 1μM
DCLK1_HUMAN O15075 Serine/threonine-protein Kinase DCLK1, Human 1.2 0.37 Binding ≤ 1μM
DCLK2_HUMAN Q8N568 Serine/threonine-protein Kinase DCLK2, Human 10 0.33 Binding ≤ 1μM
GAK_HUMAN O14976 Serine/threonine-protein Kinase GAK, Human 450 0.26 Binding ≤ 1μM
ACK1_HUMAN Q07912 Tyrosine Kinase Non-receptor Protein 2, Human 440 0.26 Binding ≤ 1μM
MK07_HUMAN Q13164 Mitogen-activated Protein Kinase 7, Human 190 0.28 Binding ≤ 10μM
TNK1_HUMAN Q13470 Non-receptor Tyrosine-protein Kinase TNK1, Human 29 0.31 Binding ≤ 10μM
DCLK1_HUMAN O15075 Serine/threonine-protein Kinase DCLK1, Human 1.2 0.37 Binding ≤ 10μM
DCLK2_HUMAN Q8N568 Serine/threonine-protein Kinase DCLK2, Human 10 0.33 Binding ≤ 10μM
GAK_HUMAN O14976 Serine/threonine-protein Kinase GAK, Human 450 0.26 Binding ≤ 10μM
ACK1_HUMAN Q07912 Tyrosine Kinase Non-receptor Protein 2, Human 440 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERK/MAPK targets
ERKs are inactivated
Gastrin-CREB signalling pathway via PKC and MAPK
Golgi Associated Vesicle Biogenesis
Senescence-Associated Secretory Phenotype (SASP)
Signalling to ERK5

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.