UCSF

ZINC35801966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 35 Yes

Other Names:

DNC009884

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) 2.16 8.49 -23.94 3 8 0 103 465.513 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CALRL-1-E Calcitonin Gene-related Peptide Type 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
CALRL-1-E Calcitonin Gene-related Peptide Type 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 0.35 0.38 Binding ≤ 1μM
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 0.35 0.38 Binding ≤ 10μM
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 2.4 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Calcitonin-like ligand receptors
G alpha (s) signalling events

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