UCSF

ZINC26383966

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 35 No

Popular Name: (2S)-2-[[(2S)-2-[(4-benzyloxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic (2S)-2-[[(2S)-2-[(4-benzyloxyphe…

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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) 3.30 13 -59.62 2 6 -1 94 487.601 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECE1_RAT P42893 Endothelin-converting Enzyme 1, Rat 800 0.24 Binding ≤ 1μM
ECE1_RAT P42893 Endothelin-converting Enzyme 1, Rat 800 0.24 Binding ≤ 10μM

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