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Name | Smoothened homolog |
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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 | CHEMBL3971451 |
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Molecular formula | C23H24N2O5 |
IUPAC name | 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid |
Molecular weight | 408.454 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.3 |
Synonyms | 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoic acid BDBM50196081 SCHEMBL6128980 AXXMRDVYSRUCIM-UHFFFAOYSA-N |
Inchi Key | AXXMRDVYSRUCIM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H24N2O5/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30/h5-6,8-13,26H,2-4,7,14H2,1H3,(H,24,27)(H,29,30) |
PubChem CID | 57331381 |
ChEMBL | CHEMBL3971451 |
IUPHAR | N/A |
BindingDB | 50196081 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 600.0 nM | PMID27429255 | BindingDB,ChEMBL |
FC | 0.05 - | PMID27429255 | ChEMBL |
FC | 0.26 - | PMID27429255 | ChEMBL |
FC | 0.92 - | PMID27429255 | ChEMBL |
FC | 0.98 - | PMID27429255 | ChEMBL |
FC | 1.63 - | PMID27429255 | ChEMBL |
Inhibition | 26.0 % | PMID27429255 | ChEMBL |
max activation | 137.0 % | PMID27429255 | ChEMBL |
Ratio EC50 | 2.0 - | PMID27429255 | ChEMBL |
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