| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 37 | Yes |
Popular Name: Na-(2-naphthalenesulfonylglycyl)-4-amidino-d,l-phenylalaninepiperidide Na-(2-naphthalenesulfonylglycyl)…
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CAS Number: 86125-48-6
| 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) | 2.23 | 6.47 | -52.48 | 6 | 9 | 1 | 147 | 522.651 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANT3-1-E | Antithrombin-III Precursor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 570 | 0.24 | Binding ≤ 10μM |
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7900 | 0.19 | Binding ≤ 10μM |
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 7 | 0.31 | Binding ≤ 10μM |
| TRY1-4-E | Trypsin I (cluster #4 Of 5), Eukaryotic | Eukaryotes | 690 | 0.23 | Binding ≤ 10μM |
| TRY2-1-E | Trypsin II (cluster #1 Of 3), Eukaryotic | Eukaryotes | 690 | 0.23 | Binding ≤ 10μM |
| TRY3-1-E | Trypsin III (cluster #1 Of 1), Eukaryotic | Eukaryotes | 690 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANT3_HUMAN | P01008 | Antithrombin-III Precursor, Human | 570 | 0.24 | Binding ≤ 1μM |
| THRB_RAT | P18292 | Thrombin, Rat | 7 | 0.31 | Binding ≤ 1μM |
| THRB_BOVIN | P00735 | Thrombin, Bovin | 6 | 0.31 | Binding ≤ 1μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 200 | 0.25 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 169 | 0.26 | Binding ≤ 1μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 325 | 0.25 | Binding ≤ 1μM |
| TRY2_BOVIN | Q29463 | Trypsin II, Bovin | 690 | 0.23 | Binding ≤ 1μM |
| TRY2_HUMAN | P07478 | Trypsin II, Human | 690 | 0.23 | Binding ≤ 1μM |
| TRY3_HUMAN | P35030 | Trypsin III, Human | 690 | 0.23 | Binding ≤ 1μM |
| ANT3_HUMAN | P01008 | Antithrombin-III Precursor, Human | 570 | 0.24 | Binding ≤ 10μM |
| FA10_BOVIN | P00743 | Coagulation Factor X, Bovin | 7900 | 0.19 | Binding ≤ 10μM |
| THRB_RAT | P18292 | Thrombin, Rat | 7 | 0.31 | Binding ≤ 10μM |
| THRB_BOVIN | P00735 | Thrombin, Bovin | 6 | 0.31 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 200 | 0.25 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 169 | 0.26 | Binding ≤ 10μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 325 | 0.25 | Binding ≤ 10μM |
| TRY2_HUMAN | P07478 | Trypsin II, Human | 690 | 0.23 | Binding ≤ 10μM |
| TRY2_BOVIN | Q29463 | Trypsin II, Bovin | 690 | 0.23 | Binding ≤ 10μM |
| TRY3_HUMAN | P35030 | Trypsin III, Human | 690 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Alpha-defensins | |
| Cell surface interactions at the vascular wall | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Collagen degradation | |
| Common Pathway | |
| Extrinsic Pathway | |
| G alpha (q) signalling events | |
| Gamma-carboxylation of protein precursors | |
| Intrinsic Pathway | |
| Peptide ligand-binding receptors | |
| Platelet Aggregation (Plug Formation) | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu |
No pre-computed analogs available. Try a structural similarity search.