UCSF

ZINC34638188

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2009 35 Yes

Popular Name: N/A N/A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 717907-75-0 , 939791-38-5 , [631918-72-4] , [717907-75-0] , [939791-38-5]

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) 2.26 7.81 -16.85 3 10 0 129 507.498 8 ↓
Lo Low (pH 4.5-6) 2.26 8.27 -45.79 4 10 1 130 508.506 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 14 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 1.5 0.35 Binding ≤ 1μM
FAK2_HUMAN Q14289 Protein Tyrosine Kinase 2 Beta, Human 14 0.31 Binding ≤ 1μM
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 1.5 0.35 Binding ≤ 10μM
FAK2_HUMAN Q14289 Protein Tyrosine Kinase 2 Beta, Human 14 0.31 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.