UCSF

ZINC03811314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 35 Yes

Popular Name: BIBP 3226 BIBP 3226

Find On: PubMed — Wikipedia — Google

CAS Number: 159013-54-4

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) 2.02 -7.92 -40.36 8 8 1 142 474.585 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY1R-2-E Neuropeptide Y Receptor Type 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.31 Functional ≤ 10μM
Z80491-2-O SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other Other 11 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 4.6 0.33 Binding ≤ 1μM
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 4.6 0.33 Binding ≤ 10μM
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 17 0.31 Functional ≤ 10μM
Z80491 Z80491 SK-N-MC (Neuroepithelioma Cells) 11 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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

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