UCSF

ZINC35636073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 34 Yes

Popular Name: PF 573228 PF 573228

Find On: PubMed — Wikipedia — Google

CAS Number: 869288-64-2

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) 3.09 8.57 -17.99 3 8 0 113 491.495 7 ↓
Lo Low (pH 4.5-6) 3.09 9.04 -52.95 4 8 1 114 492.503 7 ↓

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
CDK1-1-E Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 486 0.26 Binding ≤ 10μM
CDK7-1-E Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 197 0.28 Binding ≤ 10μM
FAK1-1-E Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDK1_HUMAN P06493 Cyclin-dependent Kinase 1, Human 486 0.26 Binding ≤ 1μM
CDK7_HUMAN P50613 Cyclin-dependent Kinase 7, Human 197 0.28 Binding ≤ 1μM
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 100 0.29 Binding ≤ 1μM
CDK1_HUMAN P06493 Cyclin-dependent Kinase 1, Human 486 0.26 Binding ≤ 10μM
CDK7_HUMAN P50613 Cyclin-dependent Kinase 7, Human 197 0.28 Binding ≤ 10μM
FAK1_HUMAN Q05397 Focal Adhesion Kinase 1, Human 100 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NIMA Kinases NEK9, NEK6, NEK7
APC/C:Cdc20 mediated degradation of Cyclin B
Apoptotic cleavage of cellular proteins
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex
Condensation of Prometaphase Chromosomes
Condensation of Prophase Chromosomes
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin B2 mediated events
Cyclin D associated events in G1
Cyclin E associated events during G1/S transition
DCC mediated attractive signaling
Depolymerisation of the Nuclear Lamina
Dual incision reaction in GG-NER
Dual incision reaction in TC-NER
E2F mediated regulation of DNA replication
E2F-enabled inhibition of pre-replication complex formation
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
ERK1 activation
Formation of HIV elongation complex in the absence of HIV Tat
Formation of HIV-1 elongation complex containing HIV-1 Tat
Formation of incision complex in GG-NER
Formation of RNA Pol II elongation complex
Formation of the Early Elongation Complex
Formation of the HIV-1 Early Elongation Complex
Formation of transcription-coupled NER (TC-NER) repair complex
G0 and Early G1
G1/S-Specific Transcription
G2/M DNA replication checkpoint
Golgi Cisternae Pericentriolar Stack Reorganization
GRB2:SOS provides linkage to MAPK signaling for Integrins
HIV Transcription Initiation
Integrin alphaIIb beta3 signaling
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
MASTL Facilitates Mitotic Progression
mRNA Capping
NCAM signaling for neurite out-growth
Netrin mediated repulsion signals
NoRC negatively regulates rRNA expression
Nuclear Pore Complex (NPC) Disassembly
p130Cas linkage to MAPK signaling for integrins
Phosphorylation of Emi1
Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com
Phosphorylation of the APC/C
Recruitment of mitotic centrosome proteins and complexes
Recruitment of NuMA to mitotic centrosomes
Regulation of actin dynamics for phagocytic cup formation
Regulation of APC/C activators between G1/S and early anaphase
Regulation of PLK1 Activity at G2/M Transition
Resolution of Sister Chromatid Cohesion
RNA Pol II CTD phosphorylation and interaction with CE
RNA Polymerase I Chain Elongation
RNA Polymerase I Promoter Escape
RNA Polymerase I Transcription Initiation
RNA Polymerase I Transcription Termination
RNA Polymerase II HIV Promoter Escape
RNA Polymerase II Pre-transcription Events
RNA Polymerase II Promoter Escape
RNA Polymerase II Transcription Elongation
RNA Polymerase II Transcription Initiation
RNA Polymerase II Transcription Initiation And Promoter Clearance
RNA Polymerase II Transcription Pre-Initiation And Promoter Opening
Signal regulatory protein (SIRP) family interactions
Tat-mediated elongation of the HIV-1 transcript
Transcription of the HIV genome
VEGFA-VEGFR2 Pathway

Rings

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

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