UCSF

ZINC03801483

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 20 No

Popular Name: DNC005137 DNC005137

Find On: PubMed — Wikipedia — Google

CAS Number: 15054-86-1

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) -1.29 -8.66 -19.17 5 8 0 130 281.247 2 ↓
Lo Low (pH 4.5-6) -4.49 -8.5 -35.66 6 8 1 132 282.255 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SAHH-1-E Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic Eukaryotes 480 0.44 Binding ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 4600 0.37 Functional ≤ 10μM
Z80784-1-O Col2 (Colon Carcinoma Cells) (cluster #1 Of 2), Other Other 1400 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 470 0.44 Binding ≤ 1μM
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 470 0.44 Binding ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 4600 0.37 Functional ≤ 10μM
Z80784 Z80784 Col2 (Colon Carcinoma Cells) 1400 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Methylation
Sulfur amino acid metabolism

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

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