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Name | Melanin-concentrating hormone receptor 1 |
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Species | Rattus norvegicus (Rat) |
Gene | Mchr1 |
Synonym | SLC-1 MCHR-1 MCHR MCH1R MCH1 receptor [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 353 |
Amino acid sequence | MDLQTSLLSTGPNASNISDGQDNLTLPGSPPRTGSVSYINIIMPSVFGTICLLGIVGNSTVIFAVVKKSKLHWCSNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMTIDRYLATVHPISSTKFRKPSMATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVKILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRTVSNAQTADEERTESKGT |
UniProt | P97639 |
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 | CHEMBL1075228 |
IUPHAR | 280 |
DrugBank | N/A |
Name | CHEMBL2147477 |
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Molecular formula | C25H35FN6S |
IUPAC name | 2-[3-[(4S)-1-[(2S)-1-(benzylamino)propan-2-yl]-3-[2-(3-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine |
Molecular weight | 470.655 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.9 |
Synonyms | MCH1 receptor antagonist (obesity), Mixture Sciences C539394000 TPI-1361-17 D0D7EK 2-[3-[(4S)-3-[2-(3-fluorophenyl)ethyl]-1-[(2S)-1-(phenylmethylamino)propan-2-yl]-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine [ Show all ] |
Inchi Key | DSJVYEAOYVHUJW-CVDCTZTESA-N |
Inchi ID | InChI=1S/C25H35FN6S/c1-19(16-29-17-21-7-3-2-4-8-21)32-18-23(11-6-13-30-24(27)28)31(25(32)33)14-12-20-9-5-10-22(26)15-20/h2-5,7-10,15,19,23,29H,6,11-14,16-18H2,1H3,(H4,27,28,30)/t19-,23-/m0/s1 |
PubChem CID | 11305934 |
ChEMBL | CHEMBL2147477 |
IUPHAR | 1315 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.1 nM | PMID22954736 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417