You can:
Name | Melanocyte-stimulating hormone receptor |
---|---|
Species | Mus musculus (Mouse) |
Gene | Mc1r |
Synonym | MC1 receptor MC1-R melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Melanocortin receptor 1 MSH-R |
Disease | N/A for non-human GPCRs |
Length | 315 |
Amino acid sequence | MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW |
UniProt | Q01727 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4077 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3799563 |
---|---|
Molecular formula | C46H67N13O10 |
IUPAC name | (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 962.123 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 11 |
XlogP | -1.4 |
Synonyms | BDBM50164806 |
Inchi Key | AQJDAJIMJIJQME-RUPCYPOASA-N |
Inchi ID | InChI=1S/C46H67N13O10/c47-14-7-17-66-19-21-68-22-20-67-18-8-16-52-40(60)28-69-29-41(61)56-39(25-33-27-51-30-55-33)45(65)59-38(23-31-9-2-1-3-10-31)44(64)57-36(13-6-15-53-46(49)50)43(63)58-37(42(48)62)24-32-26-54-35-12-5-4-11-34(32)35/h1-5,9-12,26-27,30,36-39,54H,6-8,13-25,28-29,47H2,(H2,48,62)(H,51,55)(H,52,60)(H,56,61)(H,57,64)(H,58,63)(H,59,65)(H4,49,50,53)/t36-,37-,38+,39-/m0/s1 |
PubChem CID | 127047913 |
ChEMBL | CHEMBL3799563 |
IUPHAR | N/A |
BindingDB | 50164806 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 24.9 nM | PMID26959173 | ChEMBL |
EC50 | 25.0 nM | PMID26959173 | BindingDB |
IC50 | 705.0 nM | PMID26959173 | BindingDB,ChEMBL |
Ratio EC50 | 0.6 - | PMID26959173 | ChEMBL |
Ratio IC50 | 0.6 - | PMID26959173 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417