UCSF

ZINC28964284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 40 No

Popular Name: 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-(dimethylaminomethyl)-3-pyridyl]-2-fluoro-phenyl]-7-fluoro-i 1-(3-amino-1,2-benzoxazol-5-yl)-…

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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) 4.33 10.24 -47.01 5 9 1 130 540.554 6 ↓
Hi High (pH 8-9.5) 4.33 7.74 -19.4 4 9 0 129 539.546 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
Z102352-1-O Plasma (cluster #1 Of 3), Other Other 4400 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 4.4 0.29 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 4.4 0.29 Binding ≤ 10μM
Z102352 Z102352 Plasma 4400 0.19 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Common Pathway
Extrinsic Pathway
Gamma-carboxylation of protein precursors
Intrinsic Pathway
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu

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

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