UCSF

ZINC27196434

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 No

Popular Name: (5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,3-c][1,4]oxazin-3-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]h (5R,6Z)-6-(6,8-dihydro-5H-imidaz…

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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) -0.26 2.61 -61.64 0 7 -1 87 304.307 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LACTB-1-E Serine Beta-lactamase-like Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.48 Binding ≤ 10μM
AMPC-5-B Beta-lactamase (cluster #5 Of 6), Bacterial Bacteria 5 0.55 Binding ≤ 10μM
BLAT-3-B Beta-lactamase TEM (cluster #3 Of 4), Bacterial Bacteria 0 0.00 Binding ≤ 10μM
Q46991-1-B IMI-1 (cluster #1 Of 1), Bacterial Bacteria 8 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 5 0.55 Binding ≤ 1μM
BLAT_ECOLX P62593 Beta-lactamase TEM, Ecolx 0.4 0.63 Binding ≤ 1μM
Q46991_ENTCL Q46991 IMI-1, Entcl 8 0.54 Binding ≤ 1μM
LACTB_HUMAN P83111 Serine Beta-lactamase-like Protein, Human 66 0.48 Binding ≤ 1μM
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 5 0.55 Binding ≤ 10μM
BLAT_ECOLX P62593 Beta-lactamase TEM, Ecolx 0.4 0.63 Binding ≤ 10μM
Q46991_ENTCL Q46991 IMI-1, Entcl 8 0.54 Binding ≤ 10μM
LACTB_HUMAN P83111 Serine Beta-lactamase-like Protein, Human 66 0.48 Binding ≤ 10μM

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

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