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Name | Smoothened homolog |
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Species | Homo sapiens (Human) |
Gene | SMO |
Synonym | smoothened, frizzled class receptor smoothened SMOH SMO Protein Gx [ Show all ] |
Disease | N/A |
Length | 787 |
Amino acid sequence | MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPPLSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTNEVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAEISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWGAGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTELMDADSDF |
UniProt | Q99835 |
Protein Data Bank | 4jkv, 4n4w, 4o9r, 4qim, 4qin, 5l7d, 5l7i, 5v56, 5v57 |
GPCR-HGmod model | N/A |
3D structure model | This structure is from PDB ID 4jkv. |
BioLiP | BL0352216, BL0270837, BL0267121, BL0267120, BL0243904,BL0243905, BL0283868, BL0283867, BL0352217,BL0352218, BL0352219,BL0352220, BL0379427,BL0379429, BL0379428,BL0379430, BL0379431,BL0379433, BL0379432,BL0379434 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5971 |
IUPHAR | 239 |
DrugBank | BE0004659 |
Name | SCHEMBL1835540 |
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Molecular formula | C26H30N4 |
IUPAC name | 2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-4-yl]-1,3-dihydroisoindole |
Molecular weight | 398.554 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.6 |
Synonyms | CHEMBL3906243 |
Inchi Key | GNPQEIGPKGMXKY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H30N4/c1-19-20(2)26(28-27-25(19)16-21-8-4-3-5-9-21)29-14-12-24(13-15-29)30-17-22-10-6-7-11-23(22)18-30/h3-11,24H,12-18H2,1-2H3 |
PubChem CID | 59191596 |
ChEMBL | CHEMBL3906243 |
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 | 1000.0 nM | None | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218