UCSF

ZINC13435956

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 No

Popular Name: FX-11 FX-11

Find On: PubMed — Wikipedia — Google

CAS Number: 213971-34-7

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) 5.66 8.42 -66.05 2 4 -1 81 349.406 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LDHA-2-E L-lactate Dehydrogenase A Chain (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.27 Binding ≤ 10μM
LDHB-1-E L-lactate Dehydrogenase B Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LDHA_HUMAN P00338 L-lactate Dehydrogenase A Chain, Human 300 0.35 Binding ≤ 1μM
LDHB_HUMAN P07195 L-lactate Dehydrogenase B Chain, Human 1000 0.32 Binding ≤ 1μM
LDHA_HUMAN P00338 L-lactate Dehydrogenase A Chain, Human 300 0.35 Binding ≤ 10μM
LDHB_HUMAN P07195 L-lactate Dehydrogenase B Chain, Human 1000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Abnormal metabolism in phenylketonuria
Pyruvate metabolism

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

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