UCSF

ZINC00607179

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 36 Yes

Popular Name: 114785-12-5; C15552; PD 123177 114785-12-5; C15552; PD 123177

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CAS Number: 114785-12-5

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) 2.06 14.87 -72.47 2 7 -1 104 479.56 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 66 0.28 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 66 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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