UCSF

ZINC13776372

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 24 No

Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide N-[4-(3-nitrophenyl)thiazol-2-yl…

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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) 3.37 7.21 -53.27 0 7 -1 107 360.396 5 ↓
Lo Low (pH 4.5-6) 4.29 6.91 -18.69 1 7 0 108 361.404 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 200 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KMO_RAT O88867 Kynurenine 3-monooxygenase, Rat 200 0.39 Binding ≤ 1μM
KMO_RAT O88867 Kynurenine 3-monooxygenase, Rat 200 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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