UCSF

ZINC29046741

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 35 Yes

Popular Name: PF431396 PF431396

Find On: PubMed — Wikipedia — Google

CAS Numbers: 717906-29-1 , [717906-29-1]

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) 3.16 8.77 -19.17 3 9 0 116 506.51 8 ↓

Vendor Notes

Note Type Comments Provided By
Target FAK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAK1-1-E Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
FAK2-1-E Protein-tyrosine Kinase 2-beta (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 1 0.36 Binding ≤ 1μM
FAK2_HUMAN Q14289 Protein Tyrosine Kinase 2 Beta, Human 11 0.32 Binding ≤ 1μM
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 1 0.36 Binding ≤ 10μM
FAK2_HUMAN Q14289 Protein Tyrosine Kinase 2 Beta, Human 11 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Apoptotic cleavage of cellular proteins
DCC mediated attractive signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
GRB2:SOS provides linkage to MAPK signaling for Integrins
Integrin alphaIIb beta3 signaling
Interleukin-2 signaling
NCAM signaling for neurite out-growth
Netrin mediated repulsion signals
p130Cas linkage to MAPK signaling for integrins
Regulation of actin dynamics for phagocytic cup formation
Signal regulatory protein (SIRP) family interactions
VEGFA-VEGFR2 Pathway

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

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