UCSF

ZINC53246208

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 34 Yes

Popular Name: KN-93 KN-93

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1188890-41-6 , 139298-40-1

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

Vendor Notes

Note Type Comments Provided By
Indications antihypertensive, antineoplastic, antiischemic KeyOrganics Bioactives
Target CaMK Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCC2A-1-E CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.26 Binding ≤ 10μM
KCC2B-1-E CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.26 Binding ≤ 10μM
KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 8400 0.21 Binding ≤ 10μM
KCC2G-1-E CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.26 Binding ≤ 10μM
MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 9800 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCC2A_MOUSE P11798 CaM Kinase II Alpha, Mouse 370 0.26 Binding ≤ 1μM
KCC2B_MOUSE P28652 CaM Kinase II Beta, Mouse 370 0.26 Binding ≤ 1μM
KCC2G_MOUSE Q923T9 CaM Kinase II Gamma, Mouse 370 0.26 Binding ≤ 1μM
KCC2A_MOUSE P11798 CaM Kinase II Alpha, Mouse 370 0.26 Binding ≤ 10μM
KCC2A_RAT P11275 CaM Kinase II Alpha, Rat 8400 0.21 Binding ≤ 10μM
KCC2B_MOUSE P28652 CaM Kinase II Beta, Mouse 370 0.26 Binding ≤ 10μM
KCC2B_RAT P08413 CaM Kinase II Beta, Rat 8400 0.21 Binding ≤ 10μM
KCC2D_RAT P15791 CaM Kinase II Delta, Rat 8400 0.21 Binding ≤ 10μM
KCC2G_RAT P11730 CaM Kinase II Gamma, Rat 8400 0.21 Binding ≤ 10μM
KCC2G_MOUSE Q923T9 CaM Kinase II Gamma, Mouse 370 0.26 Binding ≤ 10μM
MYLK_CHICK P11799 Myosin Light Chain Kinase, Smooth Muscle, Chick 9800 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ pathway
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of Ras
HSF1-dependent transactivation
Interferon gamma signaling
Ras activation uopn Ca2+ infux through NMDA receptor
Trafficking of AMPA receptors
Unblocking of NMDA receptor, glutamate binding and activation

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

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