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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 | CHEMBL3891481 |
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Molecular formula | C26H33N7O3 |
IUPAC name | 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2,3-dihydroxypropyl)pyrazine-2-carboxamide |
Molecular weight | 491.596 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.5 |
Synonyms | SCHEMBL13491092 |
Inchi Key | HOVPROJGSNLOLU-OQHSHRKDSA-N |
Inchi ID | InChI=1S/C26H33N7O3/c1-17-15-32(25-19(3)18(2)22(30-31-25)11-20-7-5-4-6-8-20)9-10-33(17)24-14-27-23(13-28-24)26(36)29-12-21(35)16-34/h4-8,13-14,17,21,34-35H,9-12,15-16H2,1-3H3,(H,29,36)/t17-,21?/m1/s1 |
PubChem CID | 59191583 |
ChEMBL | CHEMBL3891481 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | >100.0 nM | None | ChEMBL |
IC50 | 100.0 nM | None | ChEMBL |
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