UCSF

ZINC49067143

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 28 Yes

Popular Name: 4-[amino(carbamoyl)BLAHyl]benzoic 4-[amino(carbamoyl)BLAHyl]benzoic

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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) 4.51 6.83 -65.98 5 6 0 123 395.484 3 ↓
Mid Mid (pH 6-8) 4.51 6.48 -49.88 4 6 -1 122 394.476 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EF2K-1-E Serine/threonine-protein Kinase EEF2K (cluster #1 Of 2), Eukaryotic Eukaryotes 860 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EF2K_HUMAN O00418 Serine/threonine-protein Kinase EEF2K, Human 860 0.30 Binding ≤ 1μM
EF2K_HUMAN O00418 Serine/threonine-protein Kinase EEF2K, Human 860 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
S6K1 signalling

Rings

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

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