UCSF

ZINC34375693

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 Yes

Popular Name: osuran osuran

Find On: PubMed — Wikipedia — Google

CAS Number: 540769-28-6

Download: MOL2 SDF SMILES Flexibase

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) 3.78 8.67 -83.18 5 6 2 80 420.557 6 ↓
Hi High (pH 8-9.5) 3.96 5.02 -20.94 3 6 0 81 418.541 5 ↓
Mid Mid (pH 6-8) 3.96 8.19 -89.57 5 6 2 84 420.557 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UR2R-1-E Urotensin II Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.33 Binding ≤ 10μM
UTS2-1-E Urotensin-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.38 Binding ≤ 10μM
UR2R-1-E Urotensin II Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UR2R_HUMAN Q9UKP6 Urotensin II Receptor, Human 3.6 0.38 Binding ≤ 1μM
UTS2_MACMU Q8HYC2 Urotensin-2, Macmu 4 0.38 Binding ≤ 1μM
UR2R_HUMAN Q9UKP6 Urotensin II Receptor, Human 3.6 0.38 Binding ≤ 10μM
UTS2_MACMU Q8HYC2 Urotensin-2, Macmu 4 0.38 Binding ≤ 10μM
UR2R_HUMAN Q9UKP6 Urotensin II Receptor, Human 320 0.29 Functional ≤ 10μM
UR2R_RAT P49684 Urotensin II Receptor, Rat 17 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.