UCSF

ZINC14949005

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 Yes

Popular Name: (3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyri (3R)-3-amino-4-(2,5-difluorophen…

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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) 5.28 10.96 -45.72 3 4 1 61 460.595 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPP2-1-E Dipeptidyl Peptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.26 Binding ≤ 10μM
DPP4-1-E Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic Eukaryotes 380 0.29 Binding ≤ 10μM
DPP8-2-E Dipeptidyl Peptidase VIII (cluster #2 Of 2), Eukaryotic Eukaryotes 3300 0.25 Binding ≤ 10μM
DPP9-2-E Dipeptidyl Peptidase IX (cluster #2 Of 2), Eukaryotic Eukaryotes 5100 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPP4_HUMAN P27487 Dipeptidyl Peptidase IV, Human 380 0.29 Binding ≤ 1μM
DPP2_HUMAN Q9UHL4 Dipeptidyl Peptidase II, Human 1900 0.26 Binding ≤ 10μM
DPP4_HUMAN P27487 Dipeptidyl Peptidase IV, Human 380 0.29 Binding ≤ 10μM
DPP9_HUMAN Q86TI2 Dipeptidyl Peptidase IX, Human 5100 0.24 Binding ≤ 10μM
DPP8_HUMAN Q6V1X1 Dipeptidyl Peptidase VIII, Human 3300 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)
Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp

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