UCSF

ZINC03938676

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 32 No

Popular Name: TIPLAXTININ TIPLAXTININ

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CAS Number: 393105-53-8

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) 5.26 4.03 -58.95 0 5 -1 71 438.381 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAI1-1-E Plasminogen Activator Inhibitor-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAI1_RAT P20961 Plasminogen Activator Inhibitor-1, Rat 480 0.28 Binding ≤ 1μM
PAI1_RAT P20961 Plasminogen Activator Inhibitor-1, Rat 480 0.28 Binding ≤ 10μM
PAI1_HUMAN P05121 Plasminogen Activator Inhibitor-1, Human 10000 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Dissolution of Fibrin Clot
ECM proteoglycans
Platelet degranulation
SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription

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