UCSF

ZINC01372365

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

Popular Name: (3-chlorophenyl)-[4-[[5-(m-anisylthio)-1,3,4-oxadiazol-2-yl]methyl]thiazol-2-yl]amine (3-chlorophenyl)-[4-[[5-(m-anisy…

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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) 5.69 6.57 -13.19 1 6 0 73 444.969 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CBPB1-3-E Carboxypeptidase B (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.29 Binding ≤ 10μM
Q3T905-1-E Carboxypeptidase B (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q3T905_HELZE Q3T905 Carboxypeptidase B, Helze 3600 0.26 Binding ≤ 10μM
CBPB1_HUMAN P15086 Carboxypeptidase B, Human 1200 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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

No pre-computed analogs available. Try a structural similarity search.