UCSF

ZINC04099011

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 14 No

Popular Name: Thiolactomycin Thiolactomycin

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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
Mid Mid (pH 6-8) 2.16 5.15 -35.23 0 2 -1 40 209.29 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAB2-1-B 3-oxoacyl-[acyl-carrier-protein] Synthase 2 (cluster #1 Of 1), Bacterial Bacteria 6000 0.52 Binding ≤ 10μM
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 4000 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAB2_MYCTU P63456 3-oxoacyl-[acyl-carrier-protein] Synthase 2, Myctu 6000 0.52 Binding ≤ 10μM
FABH_MYCTU P0A574 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu 4000 0.54 Binding ≤ 10μM

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

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