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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 | SCHEMBL3213258 |
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Molecular formula | C24H30N6O2 |
IUPAC name | 1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethane-1,2-diol |
Molecular weight | 434.544 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 1.7 |
Synonyms | 1-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-yl)-ethane-1,2-diol GRPLFVZGLYQPHG-XESZBRCGSA-N 1-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-yl)-ethane-1,2-diol CHEMBL3971008 |
Inchi Key | GRPLFVZGLYQPHG-XESZBRCGSA-N |
Inchi ID | InChI=1S/C24H30N6O2/c1-16-14-29(9-10-30(16)23-13-25-21(12-26-23)22(32)15-31)24-18(3)17(2)20(27-28-24)11-19-7-5-4-6-8-19/h4-8,12-13,16,22,31-32H,9-11,14-15H2,1-3H3/t16-,22?/m1/s1 |
PubChem CID | 59191595 |
ChEMBL | CHEMBL3971008 |
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 |
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