UCSF

ZINC36113664

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 37 No

Popular Name: (2R)-N-[(1R)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-2-[(1S)-2-(hydroxyamino)-2-oxo-1-[(6-oxoquinoli (2R)-N-[(1R)-2,2-dimethyl-1-(met…

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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) 1.81 3.49 -26.54 5 12 0 175 537.639 11 ↓
Hi High (pH 8-9.5) 2.00 3.53 -64.71 4 12 -1 182 536.631 11 ↓
Hi High (pH 8-9.5) 1.81 4.7 -68.52 4 12 -1 178 536.631 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MMP1-1-E Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MMP1_HUMAN P03956 Matrix Metalloproteinase-1, Human 1.3 0.34 Binding ≤ 1μM
MMP1_HUMAN P03956 Matrix Metalloproteinase-1, Human 1.3 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Basigin interactions
Collagen degradation
Degradation of the extracellular matrix
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l

Rings

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

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