UCSF

ZINC40896792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 32 Yes

Popular Name: CAY10594 CAY10594

Find On: PubMed — Wikipedia — Google

CAS Number: 1130067-34-3

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) 3.49 9.6 -47.32 3 6 1 66 429.544 5 ↓
Hi High (pH 8-9.5) 3.49 7.36 -13.33 2 6 0 65 428.536 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD1-1-E Phospholipase D1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5100 0.23 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 1000 0.26 Binding ≤ 1μM
PLD2_HUMAN O14939 Phospholipase D2, Human 110 0.30 Binding ≤ 1μM
PLD1_HUMAN Q13393 Phospholipase D1, Human 1000 0.26 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 110 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of phospholipids in phagocytosis
Synthesis of PA
Synthesis of PG

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

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