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Name | Melanocortin receptor 3 |
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Species | Homo sapiens (Human) |
Gene | MC3R |
Synonym | MC3-R melanocortin receptor 3 MC3 receptor gamma-MSH receptor |
Disease | Sexual dysfunction; Obesity; Type 2 diabetes |
Length | 323 |
Amino acid sequence | MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG |
UniProt | P41968 |
Protein Data Bank | N/A |
GPCR-HGmod model | P41968 |
3D structure model | This predicted structure model is from GPCR-EXP P41968. |
BioLiP | N/A |
Therapeutic Target Database | T76846 |
ChEMBL | CHEMBL4644 |
IUPHAR | 284 |
DrugBank | N/A |
Name | THIQ |
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Molecular formula | C33H41ClN6O2 |
IUPAC name | (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular weight | 589.181 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | (3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide 312637-48-2 J-018327 (R)-N-((R)-1-(4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide BDBM50119368 [ Show all ] |
Inchi Key | HLCHESOMJVGDSJ-LOYHVIPDSA-N |
Inchi ID | InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 |
PubChem CID | 9938402 |
ChEMBL | CHEMBL339053 |
IUPHAR | 1338 |
BindingDB | 50119368 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
%max | 32.0 % | PMID16364639 | ChEMBL |
Activation | 32.0 % | PMID12361385 | ChEMBL |
Activity | 32.0 % | PMID12361385 | ChEMBL |
EC50 | 160.0 nM | PMID18078748 | BindingDB,ChEMBL |
EC50 | 1400.0 nM | PMID14552781 | BindingDB,ChEMBL |
EC50 | 2487.0 nM | PMID16364639, PMID12361385 | BindingDB,ChEMBL |
IC50 | 761.0 nM | PMID16364639, PMID15951175, PMID12361385 | BindingDB,ChEMBL |
Ki | 125.0 nM | PMID18078748 | BindingDB,ChEMBL |
Ki | 736.0 nM | PMID15911261 | BindingDB,ChEMBL |
Ki | 2300.0 nM | PMID15357964 | BindingDB,ChEMBL |
Ki | 4500.0 nM | PMID15317471 | ChEMBL |
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