UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27646610
27646610
34826099
34826099

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Popular Name: 2-(4-(4-Chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid 2-(4-(4-Chlorobenzyl)-7-fluoro-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 745 0.30 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.43 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.39 Binding ≤ 10μM
PE2R1-1-E Prostanoid EP1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1160 0.29 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 136 0.33 Binding ≤ 10μM
PE2R3-1-E Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 892 0.29 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9991 0.24 Binding ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6628 0.25 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.41 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.41 Functional ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 770 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) 1.07 -1.2 -48.64 0 5 -1 79 434.896 5 ↓
Hi High (pH 8-9.5) 7.27 15.64 -7.97 0 3 0 36 414.545 3 ↓

Analogs

39351828
39351828
39351829
39351829
39351830
39351830
39351831
39351831

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Popular Name: Iloprost Iloprost

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.44 Binding ≤ 10μM
Z102352-3-O Plasma (cluster #3 Of 3), Other Other 5 0.45 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 48 0.39 Functional ≤ 10μM
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 11 0.43 Functional ≤ 10μM
Z81011-3-O Human Cell Lines (cluster #3 Of 3), Other Other 3 0.46 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) 3.68 9.38 -48.27 2 4 -1 81 359.486 8 ↓
Lo Low (pH 4.5-6) 3.68 7.41 -10.25 3 4 0 78 360.494 8 ↓

Analogs

39351828
39351828
39351829
39351829
39351830
39351830
39351831
39351831

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Popular Name: Iloprost Iloprost

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.44 Binding ≤ 10μM
Z102352-3-O Plasma (cluster #3 Of 3), Other Other 5 0.45 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 48 0.39 Functional ≤ 10μM
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 11 0.43 Functional ≤ 10μM
Z81011-3-O Human Cell Lines (cluster #3 Of 3), Other Other 3 0.46 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) 3.68 9.17 -48.41 2 4 -1 81 359.486 8 ↓
Lo Low (pH 4.5-6) 3.68 7.2 -10.44 3 4 0 78 360.494 8 ↓

Analogs

5820938
5820938

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Popular Name: Prostaglandin E1 Prostaglandin E1

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.46 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 41 0.41 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
PE2R4-2-E Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.48 Binding ≤ 10μM
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.38 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.47 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 70 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) 3.36 7.89 -49.67 2 5 -1 98 353.479 13 ↓
Lo Low (pH 4.5-6) 3.36 5.91 -10.15 3 5 0 95 354.487 13 ↓

Analogs

5820938
5820938

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Popular Name: Prostaglandin E1 Prostaglandin E1

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 87 0.40 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
PE2R4-2-E Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.48 Binding ≤ 10μM
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.38 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.48 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 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) 3.36 -2.65 -51.46 2 5 -1 97 353.479 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BUTAPROST BUTAPROST

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 73 0.36 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 110 0.35 Binding ≤ 10μM
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 870 0.30 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.37 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.38 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) 3.36 8.06 -51.37 2 5 -1 98 393.544 13 ↓

Analogs

33820105
33820105
33820106
33820106

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Popular Name: Beraprost sodium Beraprost sodium

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.34 Binding ≤ 10μM
Z102352-3-O Plasma (cluster #3 Of 3), Other Other 17 0.38 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 4 0.41 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 7600 0.25 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) 3.17 -2.15 -56.17 2 5 -1 89 397.491 8 ↓

Analogs

33820105
33820105
33820106
33820106

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Popular Name: Beraprost sodium Beraprost sodium

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.34 Binding ≤ 10μM
Z102352-3-O Plasma (cluster #3 Of 3), Other Other 17 0.38 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 4 0.41 Functional ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 7600 0.25 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) 3.17 8.01 -56.2 2 5 -1 90 397.491 8 ↓

Analogs

26171993
26171993
27639830
27639830
27639832
27639832
4215145
4215145

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Popular Name: methyl methyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2400 0.27 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.36 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.36 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) 3.67 9.5 -11.9 2 5 0 84 408.579 14 ↓

Analogs

27639830
27639830
27639832
27639832
4215145
4215145
26171989
26171989

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Popular Name: (R)-Butaprost (R)-Butaprost

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2400 0.27 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.36 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.36 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) 3.67 9.01 -11.38 2 5 0 84 408.579 14 ↓

Analogs

5820790
5820790
12496087
12496087
12496636
12496636
12503216
12503216
33838834
33838834

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Popular Name: 15(R)-Prostaglandin E2 15(R)-Prostaglandin E2

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 18 0.43 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 38 0.42 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
PE2R4-2-E Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.48 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.49 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.37 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) 2.87 -2.44 -51.24 2 5 -1 97 351.463 12 ↓

Parameters Provided:

annotation.name = PI2R_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'PI2R\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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