UCSF

ZINC00366941

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: 5-(4-phenylphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole 5-(4-phenylphenyl)-3-(2-pyridyl)…

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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) 4.38 8.26 -11.52 0 4 0 52 299.333 3 ↓
Lo Low (pH 4.5-6) 4.38 8.82 -34.55 1 4 1 53 300.341 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 38 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 80 0.43 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 38 0.45 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 38 0.45 Binding ≤ 10μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 80 0.43 Binding ≤ 10μM

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