UCSF

ZINC38144703

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 23 No

Popular Name: Ac-vad-cho Ac-vad-cho

Find On: PubMed — Wikipedia — Google

CAS Number: 147837-52-3

Other Names:

MFCD00672421

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) -1.57 1.67 -48.64 3 9 -1 144 328.345 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP1-1-E Caspase-1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1700 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP1_HUMAN P29466 Caspase-1, Human 1700 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interleukin-1 processing
NOD1/2 Signaling Pathway
The AIM2 inflammasome
The IPAF inflammasome
The NLRP3 inflammasome

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