UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36215708
36215708
39267143
39267143
39267145
39267145
29469431
29469431
29469434
29469434

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Popular Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 441 0.23 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 12 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 181 0.25 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 2210 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 441 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 11.7 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 441 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 11.7 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 181 0.25 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 2210 0.21 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) 1.02 0.07 -55.49 10 11 1 201 525.63 15 ↓
Mid Mid (pH 6-8) 1.02 -0.23 -22.19 9 11 0 200 524.622 15 ↓

Analogs

39267143
39267143
39267145
39267145
36215706
36215706
29469431
29469431

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl (2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 441 0.23 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 12 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 181 0.25 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 2210 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 441 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 11.7 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 441 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 11.7 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 181 0.25 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 2210 0.21 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) 1.02 0.14 -55.89 10 11 1 201 525.63 15 ↓
Mid Mid (pH 6-8) 1.02 -0.16 -21.12 9 11 0 200 524.622 15 ↓

Analogs

36215714
36215714
36215716
36215716
36215719
36215719

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Popular Name: (2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1R)-1-benzyl-2-[[(1S)-1-carbamoyl-2-me (2R)-2-[[(2R)-2-amino-3-(4-hydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2760 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 43 0.26 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 591 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2760 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 591 0.22 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) 0.23 -2.19 -54.44 11 12 1 221 541.629 14 ↓
Mid Mid (pH 6-8) 0.23 -2.35 -20.98 10 12 0 220 540.621 14 ↓

Analogs

36215716
36215716
36215719
36215719
36215710
36215710

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Popular Name: (2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1R)-1-benzyl-2-[[(1R)-1-carbamoyl-2-me (2R)-2-[[(2R)-2-amino-3-(4-hydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2760 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 43 0.26 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 591 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2760 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 591 0.22 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) 0.23 -2.11 -54.25 11 12 1 221 541.629 14 ↓
Mid Mid (pH 6-8) 0.23 -2.22 -19.2 10 12 0 220 540.621 14 ↓

Analogs

36215719
36215719
36215710
36215710
36215714
36215714

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-2-me (2R)-2-[[(2R)-2-amino-3-(4-hydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2760 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 43 0.26 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 591 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2760 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 591 0.22 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) 0.23 -1.74 -51.61 11 12 1 221 541.629 14 ↓
Mid Mid (pH 6-8) 0.23 -1.88 -24.44 10 12 0 220 540.621 14 ↓

Analogs

36215710
36215710
36215714
36215714

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1R)-1-carbamoyl-2-me (2R)-2-[[(2R)-2-amino-3-(4-hydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2760 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 43 0.26 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 591 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2760 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 42.9 0.26 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 591 0.22 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) 0.23 -1.93 -51.67 11 12 1 221 541.629 14 ↓
Mid Mid (pH 6-8) 0.23 -2.01 -27.81 10 12 0 220 540.621 14 ↓

Analogs

36216043
36216043
60038697
60038697
60038700
60038700
27749699
27749699
27749717
27749717

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-2-[[(1R)-4-amino-1-carbamoyl-butyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2R)-2-amino-3-(4-h (2R)-N-[(1S)-2-[[(1R)-4-amino-1-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2870 0.19 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 168 0.24 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 2290 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.35 0.31 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2870 0.19 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.35 0.31 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 168 0.24 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 2290 0.20 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) 0.17 -0.03 -113.06 12 11 2 206 556.708 17 ↓
Mid Mid (pH 6-8) 0.17 -0.35 -69.86 11 11 1 204 555.7 17 ↓

Analogs

60038697
60038697
60038700
60038700
36216040
36216040
27749699
27749699

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-2-[[(1R)-4-amino-1-carbamoyl-butyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2R)-2-amino-3-(4-h (2R)-N-[(1R)-2-[[(1R)-4-amino-1-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2870 0.19 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 168 0.24 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 2290 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.35 0.31 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2870 0.19 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.35 0.31 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 168 0.24 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 2290 0.20 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) 0.17 0.03 -111.75 12 11 2 206 556.708 17 ↓
Mid Mid (pH 6-8) 0.17 -0.3 -66.54 11 11 1 204 555.7 17 ↓

Analogs

36216054
36216054
36216056
36216056
36216058
36216058
60053335
60053335
26172855
26172855

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Popular Name: (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2S)-5-amino-2-[[(2S)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9290 0.16 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 346 0.21 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 1090 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 9290 0.16 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 346 0.21 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 1090 0.19 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) -2.50 -2.23 -172.55 17 14 3 272 600.745 18 ↓
Mid Mid (pH 6-8) -2.50 -2.55 -98.12 16 14 2 270 599.737 18 ↓

Analogs

36216056
36216056
36216058
36216058
60053335
60053335
26172855
26172855
36216052
36216052

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2S)-5-amino-2-[[(2R)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9290 0.16 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 346 0.21 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 1090 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 9290 0.16 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 346 0.21 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 1090 0.19 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) -2.50 -2.17 -173.34 17 14 3 272 600.745 18 ↓
Mid Mid (pH 6-8) -2.50 -2.5 -101.54 16 14 2 270 599.737 18 ↓

Analogs

36216058
36216058
60053335
60053335
26172855
26172855
36216052
36216052

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2R)-5-amino-2-[[(2S)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9290 0.16 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 346 0.21 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 1090 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 9290 0.16 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 346 0.21 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 1090 0.19 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) -2.50 -2.23 -179.22 17 14 3 272 600.745 18 ↓
Mid Mid (pH 6-8) -2.50 -2.55 -108.17 16 14 2 270 599.737 18 ↓

Analogs

60053335
60053335
26172855
26172855
36216052
36216052

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2R)-5-amino-2-[[(2R)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9290 0.16 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.29 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 346 0.21 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 1090 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 9290 0.16 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 346 0.21 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 1090 0.19 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) -2.50 -2.17 -174.26 17 14 3 272 600.745 18 ↓
Mid Mid (pH 6-8) -2.50 -2.5 -102.09 16 14 2 270 599.737 18 ↓

Analogs

36216064
36216064
36216066
36216066
36216068
36216068
33770286
33770286
33770287
33770287

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenyl (2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 181 0.24 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.30 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 31 0.27 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 153 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 30.6 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 153 0.24 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) 2.26 2.66 -54.97 9 10 1 178 540.685 16 ↓
Mid Mid (pH 6-8) 2.26 2.33 -17.7 8 10 0 177 539.677 16 ↓

Analogs

36216066
36216066
36216068
36216068
33770286
33770286
33770287
33770287
34970034
34970034

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenyl (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 181 0.24 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.30 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 31 0.27 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 153 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 30.6 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 153 0.24 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) 2.26 2.66 -54.25 9 10 1 178 540.685 16 ↓
Mid Mid (pH 6-8) 2.26 2.33 -16.91 8 10 0 177 539.677 16 ↓

Analogs

36216068
36216068
36216061
36216061
36216064
36216064

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenyl (2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 181 0.24 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.30 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 31 0.27 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 153 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 30.6 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 153 0.24 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) 2.26 2.6 -54.17 9 10 1 178 540.685 16 ↓
Mid Mid (pH 6-8) 2.26 2.28 -16.91 8 10 0 177 539.677 16 ↓

Analogs

36216061
36216061
36216064
36216064

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 181 0.24 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.30 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 31 0.27 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 153 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 181 0.24 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 3.53 0.30 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 30.6 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 153 0.24 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) 2.26 2.6 -54.86 9 10 1 178 540.685 16 ↓
Mid Mid (pH 6-8) 2.26 2.28 -18.74 8 10 0 177 539.677 16 ↓

Analogs

36216073
36216073
27757516
27757516
27757534
27757534

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]- (2R)-5-amino-2-[[(2S)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2200 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 104 0.25 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 271 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.17 0.32 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2200 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.17 0.32 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 104 0.25 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 271 0.24 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) -0.34 -0.81 -112.89 12 11 2 206 542.681 16 ↓
Mid Mid (pH 6-8) -0.34 -1.11 -69.33 11 11 1 204 541.673 16 ↓

Analogs

36216071
36216071
27757516
27757516

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]- (2R)-5-amino-2-[[(2R)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2200 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 104 0.25 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 271 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.17 0.32 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2200 0.20 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.17 0.32 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 104 0.25 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 271 0.24 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) -0.34 -0.75 -111.44 12 11 2 206 542.681 16 ↓
Mid Mid (pH 6-8) -0.34 -1.06 -66.04 11 11 1 204 541.673 16 ↓

Analogs

36216077
36216077
36216079
36216079
36216082
36216082

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-4-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2S)-2-amino-4-[[(2S)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 257 0.22 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 659 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 257 0.22 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 659 0.21 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) -4.19 0.47 -146.01 15 14 2 269 586.694 17 ↓
Hi High (pH 8-9.5) -4.19 -0.1 -70.39 13 14 0 266 584.678 17 ↓
Mid Mid (pH 6-8) -4.19 0.19 -80.93 14 14 1 267 585.686 17 ↓

Analogs

36216079
36216079
36216082
36216082
36216075
36216075

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2S)-2-amino-4-[[(2R)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 257 0.22 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 659 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 257 0.22 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 659 0.21 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) -4.19 0.53 -143.28 15 14 2 269 586.694 17 ↓
Hi High (pH 8-9.5) -4.19 -0.05 -65.57 13 14 0 266 584.678 17 ↓
Mid Mid (pH 6-8) -4.19 0.24 -78.14 14 14 1 267 585.686 17 ↓

Analogs

36216082
36216082
36216075
36216075
36216077
36216077

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-4-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2R)-2-amino-4-[[(2S)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 257 0.22 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 659 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 257 0.22 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 659 0.21 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) -4.19 0.49 -143.98 15 14 2 269 586.694 17 ↓
Hi High (pH 8-9.5) -4.19 -0.16 -73.04 13 14 0 266 584.678 17 ↓
Mid Mid (pH 6-8) -4.19 0.17 -78.78 14 14 1 267 585.686 17 ↓

Analogs

36216075
36216075
36216077
36216077

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pent (2R)-2-amino-4-[[(2R)-2-[[(2R)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 257 0.22 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 659 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 5.78 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 257 0.22 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 659 0.21 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) -4.19 0.54 -142.35 15 14 2 269 586.694 17 ↓
Hi High (pH 8-9.5) -4.19 -0.1 -68.92 13 14 0 266 584.678 17 ↓
Mid Mid (pH 6-8) -4.19 0.23 -78.05 14 14 1 267 585.686 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YRFB YRFB

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.18 0.31 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.18 0.31 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) -1.61 2.35 -123.47 12 13 1 241 556.644 16 ↓
Mid Mid (pH 6-8) -1.61 2.02 -64.99 11 13 0 240 555.636 16 ↓

Analogs

29335284
29335284
29335288
29335288
29335292
29335292
29335296
29335296
36221773
36221773

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-b (2R)-2-[[(2S)-2-amino-3-(4-hydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.30 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.30 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 13.6 0.30 Functional ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 13.6 0.30 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 13.6 0.30 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) -2.40 -2.68 -27.97 8 11 0 194 531.635 14 ↓

Parameters Provided:

ring.id = 86986
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 = 86986 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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