UCSF

ZINC64539506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 45 No

Popular Name: Torin 1 Torin 1

Find On: PubMed — Wikipedia — Google

CAS Number: 1222998-36-8

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) 6.83 15.43 -21.37 0 7 0 71 607.636 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MRCKA-1-E Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.16 Binding ≤ 10μM
MTOR-2-E Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic Eukaryotes 2 0.27 Binding ≤ 10μM
P3C2A-1-E Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Subunit Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 176 0.21 Binding ≤ 10μM
P3C2B-1-E Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 549 0.19 Binding ≤ 10μM
P85A-2-E PI3-kinase P85-alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 564 0.19 Binding ≤ 10μM
PI4KB-1-E PI4-kinase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 6680 0.16 Binding ≤ 10μM
PK3C3-1-E Phosphatidylinositol 3-kinase Catalytic Subunit Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 533 0.20 Binding ≤ 10μM
PK3CA-2-E PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 250 0.21 Binding ≤ 10μM
PK3CD-2-E PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 564 0.19 Binding ≤ 10μM
PK3CG-2-E PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 171 0.21 Binding ≤ 10μM
PRKDC-1-E DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 6.34 0.26 Binding ≤ 1μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 0.29 0.30 Binding ≤ 1μM
PK3C3_HUMAN Q8NEB9 Phosphatidylinositol 3-kinase Catalytic Subunit Type 3, Human 533 0.20 Binding ≤ 1μM
P3C2B_HUMAN O00750 Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human 549 0.19 Binding ≤ 1μM
P3C2A_HUMAN O00443 Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Subunit Alpha, Human 176 0.21 Binding ≤ 1μM
PK3CA_HUMAN P42336 PI3-kinase P110-alpha Subunit, Human 23 0.24 Binding ≤ 1μM
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 564 0.19 Binding ≤ 1μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 171 0.21 Binding ≤ 1μM
P85A_HUMAN P27986 PI3-kinase P85-alpha Subunit, Human 250 0.21 Binding ≤ 1μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 2 0.27 Binding ≤ 1μM
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 6.34 0.26 Binding ≤ 10μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 0.29 0.30 Binding ≤ 10μM
PK3C3_HUMAN Q8NEB9 Phosphatidylinositol 3-kinase Catalytic Subunit Type 3, Human 533 0.20 Binding ≤ 10μM
P3C2B_HUMAN O00750 Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human 549 0.19 Binding ≤ 10μM
P3C2A_HUMAN O00443 Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Subunit Alpha, Human 176 0.21 Binding ≤ 10μM
PK3CA_HUMAN P42336 PI3-kinase P110-alpha Subunit, Human 1800 0.18 Binding ≤ 10μM
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 564 0.19 Binding ≤ 10μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 171 0.21 Binding ≤ 10μM
P85A_HUMAN P27986 PI3-kinase P85-alpha Subunit, Human 250 0.21 Binding ≤ 10μM
PI4KB_HUMAN Q9UBF8 PI4-kinase Beta Subunit, Human 6680 0.16 Binding ≤ 10μM
MRCKA_HUMAN Q5VT25 Serine/threonine-protein Kinase MRCK-A, Human 10000 0.16 Binding ≤ 10μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 2 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
Costimulation by the CD28 family
Cytosolic sensors of pathogen-associated DNA
DAP12 signaling
Downstream signal transduction
Downstream TCR signaling
G alpha (12/13) signalling events
G alpha (q) signalling events
G beta:gamma signalling through PI3Kgamma
GAB1 signalosome
Golgi Associated Vesicle Biogenesis
GP1b-IX-V activation signalling
GPVI-mediated activation cascade
HSF1-dependent transactivation
Interleukin receptor SHC signaling
Interleukin-3, 5 and GM-CSF signaling
Interleukin-7 signaling
IRF3-mediated induction of type I IFN
mTOR signalling
Nephrin interactions
Nonhomologous End-joining (NHEJ)
PI-3K cascade
PI3K Cascade
PI3K events in ERBB2 signaling
PI3K events in ERBB4 signaling
PI3K/AKT activation
PIP3 activates AKT signaling
Processing of DNA ends prior to end rejoining
Regulation of signaling by CBL
Release of eIF4E
Role of LAT2/NTAL/LAB on calcium mobilization
Role of phospholipids in phagocytosis
S6K1-mediated signalling
Signaling by constitutively active EGFR
Signaling by FGFR mutants
Signaling by FGFR1 fusion mutants
Signaling by SCF-KIT
Synthesis of PIPs at the early endosome membrane
Synthesis of PIPs at the Golgi membrane
Synthesis of PIPs at the late endosome membrane
Synthesis of PIPs at the plasma membrane
Tie2 Signaling
Toll Like Receptor 9 (TLR9) Cascade
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability

Rings

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

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