UCSF

ZINC03783527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 38 Yes

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) 4.03 -1.3 -83.25 4 9 0 129 509.614 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3600 0.20 Binding ≤ 10μM
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 63 0.27 Binding ≤ 10μM
GHRHR-1-E Growth Hormone-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.27 Functional ≤ 10μM
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.27 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 60 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GHSR_PIG Q95254 Ghrelin Receptor, Pig 63 0.27 Binding ≤ 1μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 63 0.27 Binding ≤ 1μM
GHSR_RAT O08725 Ghrelin Receptor, Rat 60 0.27 Binding ≤ 1μM
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 3600 0.20 Binding ≤ 10μM
GHSR_PIG Q95254 Ghrelin Receptor, Pig 63 0.27 Binding ≤ 10μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 2800 0.20 Binding ≤ 10μM
GHSR_RAT O08725 Ghrelin Receptor, Rat 60 0.27 Binding ≤ 10μM
GHSR_RAT O08725 Ghrelin Receptor, Rat 60 0.27 Functional ≤ 10μM
GHRHR_RAT Q02644 Growth Hormone-releasing Hormone Receptor, Rat 60 0.27 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 125 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon-type ligand receptors
Peptide ligand-binding receptors

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