UCSF

ZINC02020083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 23 Yes

Popular Name: Benzydamine hydrochloride Benzydamine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 132-69-4 , 59831-61-7 , 642-72-8 , [132-69-4] , [642-72-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.77 9.34 -38.79 1 4 1 31 310.421 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Therapy analgesic, antipyretic, antiinflammatory SMDC Pharmakon
Indications analgesic, NSAID KeyOrganics Bioactives
Target Immunology & Inflammation related Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCYA1-1-E Guanylate Cyclase Soluble Alpha-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1020 0.36 Binding ≤ 10μM
GCYA2-1-E Guanylate Cyclase Soluble Alpha-2 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1020 0.36 Binding ≤ 10μM
GCYA3-1-E Guanylate Cyclase Soluble Alpha-3 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1020 0.36 Binding ≤ 10μM
GCYB1-1-E Guanylate Cyclase Soluble Beta-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1020 0.36 Binding ≤ 10μM
GCYB2-1-E Guanylate Cyclase Soluble Beta-2 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1020 0.36 Binding ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 6670 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCYA1_BOVIN P19687 Guanylate Cyclase Soluble Alpha-1 Chain, Bovin 1020 0.36 Binding ≤ 10μM
GCYA2_HUMAN P33402 Guanylate Cyclase Soluble Alpha-2 Chain, Human 1020 0.36 Binding ≤ 10μM
GCYA3_HUMAN Q02108 Guanylate Cyclase Soluble Alpha-3 Chain, Human 1020 0.36 Binding ≤ 10μM
GCYB1_HUMAN Q02153 Guanylate Cyclase Soluble Beta-1 Chain, Human 1020 0.36 Binding ≤ 10μM
GCYB1_BOVIN P16068 Guanylate Cyclase Soluble Beta-1 Chain, Bovin 1020 0.36 Binding ≤ 10μM
GCYB2_HUMAN O75343 Guanylate Cyclase Soluble Beta-2 Chain, Human 1020 0.36 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 6670 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase

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