UCSF

ZINC34245227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2009 35 Yes

Popular Name: DNC014273 DNC014273

Find On: PubMed — Wikipedia — Google

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) 6.79 15.94 -10.06 1 4 0 36 461.609 6 ↓
Mid Mid (pH 6-8) 6.79 17.52 -45.14 2 4 1 37 462.617 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 150 0.27 Binding ≤ 10μM
CAC1B-2-E Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.27 Binding ≤ 10μM
CACB1-1-E Voltage-dependent L-type Calcium Channel Subunit Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CACB1_RAT P54283 Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat 150 0.27 Binding ≤ 1μM
CA2D1_RAT P54290 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat 150 0.27 Binding ≤ 1μM
CAC1B_RAT Q02294 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat 150 0.27 Binding ≤ 1μM
CACB1_RAT P54283 Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat 150 0.27 Binding ≤ 10μM
CA2D1_RAT P54290 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat 150 0.27 Binding ≤ 10μM
CAC1B_RAT Q02294 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat 150 0.27 Binding ≤ 10μM

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

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