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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 | SCHEMBL1836304 |
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Molecular formula | C24H30N6O2 |
IUPAC name | 2-[5-[(2R)-4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol |
Molecular weight | 434.544 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | CHEMBL3969486 |
Inchi Key | IEHAZPTWUKALSD-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C24H30N6O2/c1-16-15-29(11-12-30(16)21-14-25-20(13-26-21)24(4,5)31)22-17(2)18(3)23(28-27-22)32-19-9-7-6-8-10-19/h6-10,13-14,16,31H,11-12,15H2,1-5H3/t16-/m1/s1 |
PubChem CID | 44596294 |
ChEMBL | CHEMBL3969486 |
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 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218