UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propan (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 550 0.17 Binding ≤ 10μM
PAR1-2-E Proteinase Activated Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 280 0.17 Functional ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 800 0.16 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) -1.96 -5.09 -98.07 18 19 2 343 749.915 25 ↓
Mid Mid (pH 6-8) -2.09 -3.8 -58.3 17 19 1 344 748.907 24 ↓
Mid Mid (pH 6-8) -1.96 -5.48 -61.09 17 19 1 342 748.907 25 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S) (2S)-2-[[(2S)-2-[[(2S)-2-amino-3…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-2-E Proteinase Activated Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 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) -1.28 -1.02 -90.63 15 15 2 271 635.811 21 ↓
Mid Mid (pH 6-8) -1.41 -1.99 -59.4 14 15 1 272 634.803 20 ↓
Mid Mid (pH 6-8) -1.28 -1.97 -53.2 14 15 1 269 634.803 21 ↓

Parameters Provided:

target.name = PAR1-2-E
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'PAR1-2-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=PAR1-2-E&target.type=F10&filter.purchasability=purchasable

Embed Link to Results