UCSF

ZINC28897549

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 15 No

Popular Name: (2S)-2-(4-carbamimidoylphenyl)-3-sulfanyl-propanoic (2S)-2-(4-carbamimidoylphenyl)-3…

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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) 0.33 3.51 -64.9 4 4 0 92 224.285 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CBPB1-1-E Carboxypeptidase B (cluster #1 Of 3), Eukaryotic Eukaryotes 845 0.57 Binding ≤ 10μM
CBPB2-1-E Carboxypeptidase B2 Isoform A (cluster #1 Of 2), Eukaryotic Eukaryotes 905 0.56 Binding ≤ 10μM
CBPN-1-E Carboxypeptidase N, Catalytic Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CBPB1_PIG P09955 Carboxypeptidase B, Pig 845 0.57 Binding ≤ 1μM
CBPB2_HUMAN Q96IY4 Carboxypeptidase B2 Isoform A, Human 905 0.56 Binding ≤ 1μM
CBPN_HUMAN P15169 Carboxypeptidase N, Catalytic Subunit, Human 1000 0.56 Binding ≤ 1μM
CBPB1_PIG P09955 Carboxypeptidase B, Pig 845 0.57 Binding ≤ 10μM
CBPB2_HUMAN Q96IY4 Carboxypeptidase B2 Isoform A, Human 905 0.56 Binding ≤ 10μM
CBPN_HUMAN P15169 Carboxypeptidase N, Catalytic Subunit, Human 1000 0.56 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Insulin processing
Metabolism of Angiotensinogen to Angiotensins

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