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Name | Smoothened homolog |
---|---|
Species | Mus musculus (Mouse) |
Gene | Smo |
Synonym | smoothened SMOH SMO FZD11 frizzled family member 11 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 793 |
Amino acid sequence | MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF |
UniProt | P56726 |
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 | CHEMBL6080 |
IUPHAR | 239 |
DrugBank | N/A |
Name | CHEMBL3979766 |
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Molecular formula | C23H22N2O5 |
IUPAC name | propyl 4-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate |
Molecular weight | 406.438 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | MCULE-2500989881 propyl 4-{[(1-allyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate AKOS000624467 Oprea1_247520 propyl 4-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate [ Show all ] |
Inchi Key | CUKVXJRCLAGDMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h3,5-12,26H,1,4,13-14H2,2H3,(H,24,27) |
PubChem CID | 54697820 |
ChEMBL | CHEMBL3979766 |
IUPHAR | N/A |
BindingDB | 50196088 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 3400.0 nM | PMID27429255 | BindingDB,ChEMBL |
max activation | 22.0 % | PMID27429255 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218