UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethylBLAH ethylBLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 16 0.47 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 379 0.39 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.48 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.41 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 83 0.43 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.47 Functional ≤ 10μM
DRD2-23-E Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic Eukaryotes 253 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 16.4 0.47 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 253 0.40 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 378.5 0.39 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 14.7 0.48 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 16.4 0.47 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 253 0.40 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 378.5 0.39 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 14.7 0.48 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 170 0.41 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 82.6 0.43 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 22.3 0.47 Functional ≤ 10μM

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) 4.87 11.4 -41.34 2 2 1 20 305.445 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethylBLAH dimethylBLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 61 0.53 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 1647 0.43 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 361 0.47 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.44 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 264 0.48 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 337 0.48 Functional ≤ 10μM
DRD2-20-E Dopamine D2 Receptor (cluster #20 Of 24), Eukaryotic Eukaryotes 712 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 61 0.53 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 712 0.45 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 361 0.47 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 61 0.53 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 712 0.45 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 1647 0.43 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 361 0.47 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 1000 0.44 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 264 0.48 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 337 0.48 Functional ≤ 10μM

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) 3.25 9.86 -43.78 1 2 1 9 255.385 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAH methylBLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 11 0.62 Binding ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 299 0.51 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.55 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 207 0.52 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.55 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.58 Functional ≤ 10μM
DRD2-5-E Dopamine D2 Receptor (cluster #5 Of 24), Eukaryotic Eukaryotes 198 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10.7 0.62 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 198 0.52 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 299 0.51 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 79.1 0.55 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10.7 0.62 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 198 0.52 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 299 0.51 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 79.1 0.55 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 207 0.52 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 92 0.55 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 33.7 0.58 Functional ≤ 10μM

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) 3.93 9.59 -39.86 1 1 1 4 258.41 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAH methylBLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 5 0.61 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.54 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 134 0.51 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.59 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.55 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.60 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.63 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 59 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.4673685 0.62 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 56.5 0.53 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 47.5 0.54 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 134 0.51 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 11.2 0.59 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.4673685 0.62 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 56.5 0.53 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 47.5 0.54 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 134 0.51 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 11.2 0.59 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 40.4 0.54 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 8.47 0.59 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 3.09 0.63 Functional ≤ 10μM

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) 4.05 10.46 -40.64 1 1 1 4 252.381 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAHdiol methylBLAHdiol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 341 0.43 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 165 0.45 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1078 0.40 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.51 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.48 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 341 0.43 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 165 0.45 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 341 0.43 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 165 0.45 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1078 0.40 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 20.7 0.51 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 65.7 0.48 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 2.32 0.58 Functional ≤ 10μM

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) 3.06 6.26 -46.4 3 3 1 45 284.379 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAHol methylBLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.51 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 11 0.56 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.61 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.63 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.52 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.61 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 18 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.39 0.66 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 17.5 0.54 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 52.5 0.51 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 11.3 0.56 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.5 0.62 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.39 0.66 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 17.5 0.54 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 52.5 0.51 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 11.3 0.56 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.5 0.62 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 6.93 0.57 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 33.5 0.52 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.69 0.61 Functional ≤ 10μM

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) 3.55 8.06 -45.06 2 2 1 25 268.38 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethoxy-methyl-BLAH dimethoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 509 0.38 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 2514 0.34 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2610 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 509 0.38 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 509 0.38 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 2514 0.34 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 2610 0.34 Binding ≤ 10μM

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) 3.68 10.37 -46.5 1 3 1 23 312.433 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropylmethylBLAH cyclopropylmethylBLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 767 0.34 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 893 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 767 0.34 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 893 0.34 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 767 0.34 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 893 0.34 Binding ≤ 10μM

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) 5.36 12.85 -40 2 2 1 20 331.483 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methoxy-methyl-BLAH methoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 29 0.50 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 76 0.47 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 43 0.49 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 54 0.48 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.51 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.60 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.54 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 13 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 22.9086765 0.51 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 12.8824955 0.53 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 75.7 0.47 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 43.4 0.49 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 38.3 0.49 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 22.9086765 0.51 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 12.8824955 0.53 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 75.7 0.47 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 43.4 0.49 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 38.3 0.49 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 24.1 0.51 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.55 0.62 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 7.2 0.54 Functional ≤ 10μM

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) 4.09 10.21 -43.56 1 2 1 14 282.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-methyl-BLAHol chloro-methyl-BLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.60 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 25 0.51 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 19 0.51 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.55 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 4 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.812830516 0.61 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 3.54813389 0.56 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 24.6 0.51 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 18.7 0.52 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.1 0.67 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.812830516 0.61 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 3.54813389 0.56 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 24.6 0.51 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 18.7 0.52 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.1 0.67 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.46 0.62 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 6.1 0.55 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.1 0.67 Functional ≤ 10μM

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) 4.42 8.06 -43.92 2 2 1 25 302.825 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dichloro-methyl-BLAHol dichloro-methyl-BLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3 0.54 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.53 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 38 0.47 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.57 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 88 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.2 0.54 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 88 0.45 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.2 0.54 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 88 0.45 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.8 0.54 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 37.5 0.47 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.2 0.57 Functional ≤ 10μM

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) 5.02 8.7 -43.59 2 2 1 25 337.27 0 ↓
Hi High (pH 8-9.5) 5.02 8.27 -40.74 0 2 -1 26 335.254 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: amino-methyl-BLAHol amino-methyl-BLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.54 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 227 0.44 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.51 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.51 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.49 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 37 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 9.3 0.54 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 37.3 0.50 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 226.5 0.44 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 9.3 0.54 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 37.3 0.50 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 226.5 0.44 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 20.9 0.51 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 26.1 0.51 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 39.5 0.49 Functional ≤ 10μM

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) 3.22 6.3 -41.1 4 3 1 51 283.395 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAHol methylBLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.56 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 296 0.46 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.52 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.60 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.54 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 38 0.52 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 37 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 8.9 0.56 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 36.9 0.52 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 296 0.46 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 42.3 0.52 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 8.9 0.56 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 36.9 0.52 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 296 0.46 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 42.3 0.52 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 2.6 0.60 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 19 0.54 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 37.5 0.52 Functional ≤ 10μM

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) 3.55 8.35 -43.81 2 2 1 25 268.38 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methoxy-methyl-BLAH methoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 82 0.47 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 151 0.45 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 567 0.42 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.51 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1050 0.40 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 62 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 82 0.47 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 62 0.48 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 150.5 0.45 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 82 0.47 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 62 0.48 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 150.5 0.45 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 567 0.42 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 21.1 0.51 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1050 0.40 Functional ≤ 10μM

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) 4.09 10.49 -43.55 1 2 1 14 282.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dichloro-methoxy-methyl-BLAH dichloro-methoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.46 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 415 0.39 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.45 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.52 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.44 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 210 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 25.3 0.46 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 210 0.41 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 415 0.39 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 25.3 0.46 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 210 0.41 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 415 0.39 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 34 0.45 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 2.5 0.52 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 59 0.44 Functional ≤ 10μM

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) 5.30 11.36 -48.21 1 2 1 14 351.297 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-methyl-BLAHol chloro-methyl-BLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.60 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.54 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.58 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 1 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.46 0.62 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.99 0.60 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.88 0.58 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.98 0.60 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 0.46 0.62 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.99 0.60 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.88 0.58 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.98 0.60 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 6.8 0.54 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.13 0.66 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.6 0.59 Functional ≤ 10μM

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) 4.42 8.41 -47.99 2 2 1 25 302.825 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-methyl-BLAHol chloro-methyl-BLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3 0.57 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.50 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.55 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.53 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.55 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.57 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.1 0.57 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 2 0.58 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 27.7 0.50 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 4.9 0.55 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.1 0.57 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 2 0.58 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 27.7 0.50 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 4.9 0.55 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10.8 0.53 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 4.8 0.55 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 3.1 0.57 Functional ≤ 10μM

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) 4.42 8.88 -45.22 2 2 1 25 302.825 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAHol methylBLAHol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.56 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 215 0.47 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.50 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.57 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.56 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 84 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 8.7 0.56 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 84 0.50 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 215 0.47 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 8.7 0.56 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 84 0.50 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 215 0.47 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 64.1 0.50 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 7.9 0.57 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 10.4 0.56 Functional ≤ 10μM

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) 3.99 8.44 -43.49 2 2 1 25 268.38 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methoxy-methyl-BLAH methoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.54 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1833 0.38 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 38 0.49 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.49 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.48 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 164 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 7.6 0.54 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 164 0.45 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 7.6 0.54 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 164 0.45 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1833 0.38 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 37.6 0.49 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 39.9 0.49 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 54.6 0.48 Functional ≤ 10μM

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) 4.06 10.2 -42.62 1 2 1 14 282.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAHdiol methylBLAHdiol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 342 0.43 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.57 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.51 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.60 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 59 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 2 0.58 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 58.7 0.48 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 342 0.43 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.68 0.58 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 2 0.58 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 58.7 0.48 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 342 0.43 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.68 0.58 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 3.3 0.57 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 19 0.51 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 0.54 0.62 Functional ≤ 10μM

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) 3.05 4.91 -46.7 3 3 1 45 284.379 0 ↓
Hi High (pH 8-9.5) 3.05 3.22 -52.18 1 3 -1 47 282.363 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethoxy-methyl-BLAH dimethoxy-methyl-BLAH

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.49 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 102 0.43 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.48 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.46 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.55 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.48 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 7 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 9.4 0.49 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 6.5 0.50 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 101.5 0.43 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 12.6 0.48 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 9.4 0.49 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 6.5 0.50 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 101.5 0.43 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 12.6 0.48 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 26.9 0.46 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.62 0.56 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 11.5 0.48 Functional ≤ 10μM

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) 4.12 9.16 -44.29 1 3 1 23 312.433 2 ↓

Parameters Provided:

ring.id = 224462
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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