UCSF

ZINC03992395

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 47 No

Popular Name: CC(C)[C@@H](C(=O)c1nc2ccccc2o1)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)CNC(=O)c4ccc(cc4)OCC(=O)O CC(C)[C@@H](C(=O)c1nc2ccccc2o1)N…

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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) 2.28 8.04 -62.03 3 14 -1 200 648.693 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELNE-2-E Neutrophil Elastase (cluster #2 Of 3), Eukaryotic Eukaryotes 33 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ELNE_HUMAN P08246 Leukocyte Elastase, Human 33 0.22 Binding ≤ 1μM
ELNE_HUMAN P08246 Leukocyte Elastase, Human 33 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Collagen degradation
Degradation of the extracellular matrix

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