UCSF

ZINC00077081

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 15 No

Popular Name: methyl 6-chloro-2-oxo-2,3-dihydro-1,2lambda~4~,3-benzodithiazole-4-carboxylate methyl 6-chloro-2-oxo-2,3-dihydr…

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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) 2.89 3.99 -10.44 1 4 0 55 263.727 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SERPH-1-E Collagen-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SERPH_HUMAN P50454 Collagen-binding Protein 1, Human 3100 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Collagen biosynthesis and modifying enzymes

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

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