UCSF

ZINC26826387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 28 No

Popular Name: Nisoldipine Nisoldipine

Find On: PubMed — Wikipedia — Google

CAS Number: [63675-72-9]

Other Names:

MFCD00478055

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) 4.69 11.85 -16.84 1 8 0 110 388.42 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1C-1-E Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
CAC1D-1-E Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
CAC1F-1-E Voltage-gated L-type Calcium Channel Alpha-1F Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
CAC1S-1-E Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 1 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1C_HUMAN Q13936 Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human 0.1 0.50 Binding ≤ 1μM
CAC1D_HUMAN Q01668 Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human 0.1 0.50 Binding ≤ 1μM
CAC1F_HUMAN O60840 Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human 0.1 0.50 Binding ≤ 1μM
CAC1S_HUMAN Q13698 Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human 0.1 0.50 Binding ≤ 1μM
CAC1C_HUMAN Q13936 Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human 0.1 0.50 Binding ≤ 10μM
CAC1D_HUMAN Q01668 Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human 0.1 0.50 Binding ≤ 10μM
CAC1F_HUMAN O60840 Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human 0.1 0.50 Binding ≤ 10μM
CAC1S_HUMAN Q13698 Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human 0.1 0.50 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 0.59 0.46 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline,noradrenaline inhibits insulin secretion
NCAM1 interactions
Regulation of insulin secretion

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

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