UCSF

ZINC36269777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 42 No

Popular Name: LS-193654 LS-193654

Find On: PubMed — Wikipedia — Google

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) 4.31 14.8 -12.26 2 8 0 92 589.184 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MC3R-1-E Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 761 0.20 Binding ≤ 10μM
MC3R-1-E Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.18 Binding ≤ 10μM
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.30 Binding ≤ 10μM
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.24 Binding ≤ 10μM
MC5R-1-E Melanocortin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 1575 0.19 Binding ≤ 10μM
MC5R-1-E Melanocortin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.18 Binding ≤ 10μM
MSHR-1-E Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.22 Binding ≤ 10μM
MSHR-1-E Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 760 0.20 Binding ≤ 10μM
MC3R-1-E Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 737 0.20 Functional ≤ 10μM
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.28 Functional ≤ 10μM
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.27 Functional ≤ 10μM
MC5R-1-E Melanocortin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 737 0.20 Functional ≤ 10μM
MSHR-1-E Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 737 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MSHR_HUMAN Q01726 Melanocortin Receptor 1, Human 300 0.22 Binding ≤ 1μM
MC3R_HUMAN P41968 Melanocortin Receptor 3, Human 125 0.23 Binding ≤ 1μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1.2 0.30 Binding ≤ 1μM
MC4R_RAT P70596 Melanocortin Receptor 4, Rat 0.6 0.31 Binding ≤ 1μM
MC5R_HUMAN P33032 Melanocortin Receptor 5, Human 326 0.22 Binding ≤ 1μM
MSHR_HUMAN Q01726 Melanocortin Receptor 1, Human 1500 0.19 Binding ≤ 10μM
MC3R_HUMAN P41968 Melanocortin Receptor 3, Human 125 0.23 Binding ≤ 10μM
MC3R_RAT P32244 Melanocortin Receptor 3, Rat 1883 0.19 Binding ≤ 10μM
MC4R_RAT P70596 Melanocortin Receptor 4, Rat 0.6 0.31 Binding ≤ 10μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1.2 0.30 Binding ≤ 10μM
MC5R_RAT P35345 Melanocortin Receptor 5, Rat 1575 0.19 Binding ≤ 10μM
MC5R_HUMAN P33032 Melanocortin Receptor 5, Human 326 0.22 Binding ≤ 10μM
MSHR_HUMAN Q01726 Melanocortin Receptor 1, Human 1400 0.20 Functional ≤ 10μM
MC3R_HUMAN P41968 Melanocortin Receptor 3, Human 1400 0.20 Functional ≤ 10μM
MC3R_RAT P32244 Melanocortin Receptor 3, Rat 1325 0.20 Functional ≤ 10μM
MC4R_RAT P70596 Melanocortin Receptor 4, Rat 2.9 0.28 Functional ≤ 10μM
MC4R_MOUSE P56450 Melanocortin Receptor 4, Mouse 7.6 0.27 Functional ≤ 10μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1 0.30 Functional ≤ 10μM
MC5R_HUMAN P33032 Melanocortin Receptor 5, Human 2.1 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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