UCSF

ZINC28704359

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 17 Yes

Other Names:

MFCD27974511

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) 1.31 4.76 -54.64 1 5 -1 70 228.231 2
Mid Mid (pH 6-8) 1.31 4.91 -47.37 2 5 0 71 229.239 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPR1-2-E Formyl Peptide Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 Functional ≤ 10μM
FPR2-2-E Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.74 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPR1_HUMAN P21462 Formyl Peptide Receptor 1, Human 1.16 0.74 Functional ≤ 10μM
FPR2_HUMAN P25090 Lipoxin A4 Receptor, Human 1.16 0.74 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Formyl peptide receptors bind formyl peptides and many other ligands
G alpha (i) signalling events
G alpha (q) signalling events

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

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