UCSF

ZINC01549583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 30 Yes

Other Names:

MFCD09753275

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) 3.65 8.42 -43.44 2 7 1 70 409.51 10

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 5490 0.25 Binding ≤ 10μM
GCYB1-1-E Guanylate Cyclase Soluble Beta-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 5490 0.25 Binding ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 2840 0.26 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 5490 0.25 Binding ≤ 10μM
GCYB1_BOVIN P16068 Guanylate Cyclase Soluble Beta-1 Chain, Bovin 5490 0.25 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 2840 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase

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

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