UCSF

ZINC03818556

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 23 No

Popular Name: UK 383367 UK 383367

Find On: PubMed — Wikipedia — Google

CAS Number: 348622-88-8

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) 1.40 -5.38 -24.12 4 8 0 131 324.381 8 ↓
Hi High (pH 8-9.5) 1.59 -4.82 -62.4 3 8 -1 137 323.373 8 ↓
Hi High (pH 8-9.5) 1.40 -4.82 -62.4 3 8 -1 134 323.373 8 ↓

Vendor Notes

Note Type Comments Provided By
Target Procollagen C Proteinase Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BMP1-1-E Bone Morphogenetic Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.45 Binding ≤ 10μM
PDE4A-1-E Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic Eukaryotes 1800 0.35 Binding ≤ 10μM
PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.35 Binding ≤ 10μM
PDE4C-1-E Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.34 Binding ≤ 10μM
PDE4D-1-E Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP1_HUMAN P13497 Bone Morphogenetic Protein 1, Human 26 0.46 Binding ≤ 1μM
PDE4D_HUMAN Q08499 Phosphodiesterase 4D, Human 900 0.37 Binding ≤ 1μM
BMP1_HUMAN P13497 Bone Morphogenetic Protein 1, Human 26 0.46 Binding ≤ 10μM
PDE4A_HUMAN P27815 Phosphodiesterase 4A, Human 1800 0.35 Binding ≤ 10μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 1500 0.35 Binding ≤ 10μM
PDE4C_HUMAN Q08493 Phosphodiesterase 4C, Human 2400 0.34 Binding ≤ 10μM
PDE4D_HUMAN Q08499 Phosphodiesterase 4D, Human 900 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Anchoring fibril formation
Collagen biosynthesis and modifying enzymes
Crosslinking of collagen fibrils
DARPP-32 events
Degradation of the extracellular matrix
G alpha (s) signalling events

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