UCSF

ZINC00163299

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 2-(4-Methoxyphenyl)benzothiazole 2-(4-Methoxyphenyl)benzothiazole

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CAS Number: 6265-92-5

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) 4.35 7.09 -7.99 0 2 0 22 241.315 2 ↓

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 360 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 1000 0.49 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 360 0.53 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 360 0.53 Binding ≤ 10μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 1000 0.49 Binding ≤ 10μM

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