UCSF

ZINC00019965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 18 Yes

Popular Name: 6-fluoro-3-[2-(3-pyridyl)vinyl]-1H-indole 6-fluoro-3-[2-(3-pyridyl)vinyl]-…

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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) 3.19 1.03 -8.78 1 2 0 28 238.265 2 ↓
Lo Low (pH 4.5-6) 3.19 1.14 -38.01 2 2 1 29 239.273 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
T23O_MOUSE P48776 Tryptophan 2,3-dioxygenase, Mouse 1000 0.47 Binding ≤ 1μM
T23O_HUMAN P48775 Tryptophan 2,3-dioxygenase, Human 880 0.47 Binding ≤ 1μM
T23O_RAT P21643 Tryptophan 2,3-dioxygenase, Rat 30 0.59 Binding ≤ 1μM
T23O_MOUSE P48776 Tryptophan 2,3-dioxygenase, Mouse 1000 0.47 Binding ≤ 10μM
T23O_HUMAN P48775 Tryptophan 2,3-dioxygenase, Human 880 0.47 Binding ≤ 10μM
T23O_RAT P21643 Tryptophan 2,3-dioxygenase, Rat 30 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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

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