| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 28 | Yes |
Popular Name: Tanomastat Tanomastat
Find On: PubMed — Wikipedia — Google
CAS Numbers: 179545-76-7 , 179545-77-8 , [179545-77-8]
(S)-4-(4'-Chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic acid
179545-77-8; D03802; Tanomastat (USAN/INN)
4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-[(phenylsulfanyl)methyl]butanoic acid
| 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) | 5.88 | 1.92 | -59.71 | 0 | 3 | -1 | 57 | 409.914 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP1-1-E | Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.27 | Binding ≤ 10μM |
| MMP13-4-E | Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1470 | 0.29 | Binding ≤ 10μM |
| MMP13-4-E | Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1570 | 0.29 | Binding ≤ 10μM |
| MMP2-2-E | 72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 11 | 0.40 | Binding ≤ 10μM |
| MMP2-2-E | 72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 91 | 0.35 | Binding ≤ 10μM |
| MMP3-2-E | Matrix Metalloproteinase 3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 143 | 0.34 | Binding ≤ 10μM |
| MMP3-2-E | Matrix Metalloproteinase 3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 7950 | 0.25 | Binding ≤ 10μM |
| MMP8-4-E | Matrix Metalloproteinase 8 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 303 | 0.33 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 301 | 0.33 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3110 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 143 | 0.34 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 303 | 0.33 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 301 | 0.33 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 11 | 0.40 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 1470 | 0.29 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 143 | 0.34 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 303 | 0.33 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 301 | 0.33 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 5000 | 0.27 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 11 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
