UCSF

ZINC23359375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 34 Yes

Popular Name: 6-[[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfonylamino]tetralin-5-carboxylic 6-[[2-[3-(4-methylpiperazin-1-yl…

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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) 3.39 8.56 -75.6 3 8 0 106 486.638 9 ↓
Hi High (pH 8-9.5) 3.39 8.67 -78.16 3 8 0 106 486.638 9 ↓
Hi High (pH 8-9.5) 3.39 6.29 -65.06 2 8 -1 105 485.63 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-1-E Methionine Aminopeptidase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.26 Binding ≤ 10μM
Z80164-1-O HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other Other 410 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 25.7039578 0.31 Binding ≤ 1μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 2100 0.23 Binding ≤ 10μM
Z80164 Z80164 HT-1080 (Fibrosarcoma Cells) 410 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

Rings

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

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