In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 32 | Yes |
Popular Name: phenyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone phenyl-[(3S,4S)-3-phenyl-4-[(4-p…
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) | 5.70 | 16.75 | -61.4 | 1 | 3 | 1 | 25 | 425.596 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CCR5-1-E | C-C Chemokine Receptor Type 5 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 67 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 67 | 0.31 | Binding ≤ 1μM |
CCR5_HUMAN | P51681 | C-C Chemokine Receptor Type 5, Human | 67 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Binding and entry of HIV virion | |
Chemokine receptors bind chemokines | |
G alpha (i) signalling events |