UCSF

ZINC52566066

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 34 Yes

Popular Name: 5-chloro-N-[(3R,4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-4-(hydroxymethyl)pyrroli 5-chloro-N-[(3R,4S)-1-[2-[2-fluo…

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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) 2.91 6.62 -57.48 4 8 1 105 505.979 7 ↓
Mid Mid (pH 6-8) 2.91 4.23 -22.21 3 8 0 104 504.971 7 ↓

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 27 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 27 0.31 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 27 0.31 Binding ≤ 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

Rings

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