UCSF

ZINC36143325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 Yes

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) 0.82 2.17 -40.58 3 5 0 80 253.256 4
Lo Low (pH 4.5-6) 0.82 2.33 -58.32 4 5 1 82 254.264 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-3-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D3-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D4-2-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 1μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 1μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 1μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 1μM
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 10μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 10μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 10μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline,noradrenaline inhibits insulin secretion
Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Chann
Regulation of insulin secretion

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