UCSF

ZINC36382859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 25 Yes

Popular Name: TEPP 46 TEPP 46

Find On: PubMed — Wikipedia — Google

CAS Number: 1221186-53-3

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) 1.17 4.85 -18.48 2 6 0 83 372.475 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPYM-1-E Pyruvate Kinase Isozymes M1/M2 (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 92 0.39 Binding ≤ 1μM
KPYM_HUMAN P14618 Pyruvate Kinase Isozymes M1/M2, Human 92 0.39 Binding ≤ 10μM

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

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