UCSF

ZINC13507607

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 No

Popular Name: (4S)-4-amino-5-[[2-[[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-penta (4S)-4-amino-5-[[2-[[(1S)-1-(2-c…

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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 0.37 -100.21 10 11 1 207 393.852 14 ↓
Hi High (pH 8-9.5) -3.16 0.06 -78.85 9 11 0 205 392.844 14 ↓
Hi High (pH 8-9.5) -3.29 0.08 -78.07 9 11 0 207 392.844 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UPAR-1-E Urokinase Plasminogen Activator Surface Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UPAR_HUMAN Q03405 Urokinase Plasminogen Activator Surface Receptor, Human 2.9 0.46 Binding ≤ 1μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2.9 0.46 Binding ≤ 1μM
UPAR_HUMAN Q03405 Urokinase Plasminogen Activator Surface Receptor, Human 2.9 0.46 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2.9 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Attachment of GPI anchor to uPAR
Dissolution of Fibrin Clot

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

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