In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2006 | 20 | Yes |
Popular Name: (S)-N-((S)-1-((2-Amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide (S)-N-((S)-1-((2-Amino-2-oxoethy…
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CAS Numbers: 2002-44-0 , 9083-38-9 , [2002-44-0]
(S)-N-((S)-1-(2-amino-2-oxoethylamino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
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) | -0.93 | -6.48 | -41.79 | 6 | 7 | 1 | 117 | 285.368 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80064-2-O | CCRF-CEM (T-cell Leukemia) (cluster #2 Of 9), Other | Other | 2600 | 0.39 | Functional ≤ 10μM |
DRD2-16-E | Dopamine D2 Receptor (cluster #16 Of 24), Eukaryotic | Eukaryotes | 78 | 0.50 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 0.1 | 0.70 | Binding ≤ 1μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.1 | 0.70 | Binding ≤ 1μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 0.1 | 0.70 | Binding ≤ 10μM |
DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 0.1 | 0.70 | Binding ≤ 10μM |
Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 2600 | 0.39 | Functional ≤ 10μM |
Description | Species |
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Dopamine receptors | |
G alpha (i) signalling events |