UCSF

ZINC13474324

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 37 No

Popular Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-methylsulfonyl-indole-2-carbonyl]amino]methyl]phenyl]-trim [4-[[[1-[(3-carbamimidoylphenyl)…

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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) -2.01 10.32 -83.81 5 8 2 120 519.671 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999033800A1 IBM Patent Data

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 226 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 226 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 226 0.25 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

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