UCSF

ZINC03981896

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2005 30 Yes

Popular Name: [H]/N=C(\N)/N1CCc2ccc(cc2C1)OCC3(CCN(CC3)c4ccncc4)C(=O)O [H]/N=C(\N)/N1CCc2ccc(cc2C1)OCC3…

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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) 1.00 -4.37 -84.32 5 8 1 121 410.498 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 30 0.35 Binding ≤ 10μM
O77669-1-E Coagulation Factor X (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 19 0.36 Binding ≤ 1μM
O77669_CANFA O77669 Coagulation Factor X, Canine 19 0.36 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 19 0.36 Binding ≤ 10μM
O77669_CANFA O77669 Coagulation Factor X, Canine 19 0.36 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% )

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