UCSF

ZINC06235014

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 25 No

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) 3.81 7.88 -53.2 0 7 -1 107 374.423 5
Lo Low (pH 4.5-6) 4.74 7.59 -18.43 1 7 0 108 375.431 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 48 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KMO_RAT O88867 Kynurenine 3-monooxygenase, Rat 48 0.41 Binding ≤ 1μM
KMO_RAT O88867 Kynurenine 3-monooxygenase, Rat 48 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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