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Name | Smoothened homolog |
---|---|
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 | CHEMBL3953985 |
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Molecular formula | C23H21F6N5 |
IUPAC name | 4,5-dimethyl-3-[4-(trifluoromethyl)phenyl]-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine |
Molecular weight | 481.446 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | SCHEMBL13490965 |
Inchi Key | GGAMUQQEZLZFLZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H21F6N5/c1-14-15(2)21(32-31-20(14)16-3-5-17(6-4-16)22(24,25)26)34-11-9-33(10-12-34)19-8-7-18(13-30-19)23(27,28)29/h3-8,13H,9-12H2,1-2H3 |
PubChem CID | 59191645 |
ChEMBL | CHEMBL3953985 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | >100.0 nM | None | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218