UCSF

ZINC13760710

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 34 Yes

Popular Name: Methyl 1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate Methyl 1-((2'-(2H-tetrazol-5-yl)…

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CAS Number: 139481-69-9

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) 4.80 10.03 -43.45 0 9 -1 106 453.482 8 ↓
Lo Low (pH 4.5-6) 4.80 11.12 -30.78 2 9 1 109 455.498 8 ↓
Lo Low (pH 4.5-6) 4.80 11.03 -48.52 1 9 0 107 454.49 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 66 0.30 Binding ≤ 10μM
AGTR2-1-E Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 66 0.30 Binding ≤ 1μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 66 0.30 Binding ≤ 1μM
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 66 0.30 Binding ≤ 10μM
AGTR2_HUMAN P50052 Angiotensin II Type 2 (AT-2) Receptor, Human 66 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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