UCSF

ZINC38576082

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 No

Popular Name: (5S)-3-butyl-1-chloro-5-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-5,6-dihydroimidazo[1,5-a]pyridine-8-c (5S)-3-butyl-1-chloro-5-[4-[2-(2…

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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) 5.12 13.58 -130.89 0 8 -2 111 472.936 7 ↓
Lo Low (pH 4.5-6) 5.12 14.06 -69.53 1 8 -1 112 473.944 7 ↓

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 50 0.30 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 50 0.30 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 50 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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