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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 | CHEMBL3604612 |
---|---|
Molecular formula | C21H14Cl2N4O2S |
IUPAC name | N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloropyridin-3-yl]-3-chlorobenzamide |
Molecular weight | 457.329 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.9 |
Synonyms | BDBM50113483 |
Inchi Key | FNHRFDMOXHKTPK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H14Cl2N4O2S/c1-11(28)25-21-27-16-6-5-12(9-18(16)30-21)14-8-17(19(23)24-10-14)26-20(29)13-3-2-4-15(22)7-13/h2-10H,1H3,(H,26,29)(H,25,27,28) |
PubChem CID | 122185870 |
ChEMBL | CHEMBL3604612 |
IUPHAR | N/A |
BindingDB | 50113483 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 10.0 nM | PMID26119500 | BindingDB |
IC50 | 10.0 nM | PMID26119500 | ChEMBL |
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