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Name | Smoothened homolog |
---|---|
Species | Mus musculus (Mouse) |
Gene | Smo |
Synonym | smoothened SMOH SMO FZD11 frizzled family member 11 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 793 |
Amino acid sequence | MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF |
UniProt | P56726 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL6080 |
IUPHAR | 239 |
DrugBank | N/A |
Name | CHEMBL2152372 |
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Molecular formula | C24H26ClNO3 |
IUPAC name | (2R,6S,8E)-6-[(4-chlorophenyl)methyl]-4-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione |
Molecular weight | 411.926 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | SCHEMBL17497490 BDBM50392972 FDSZEPJEHLNGEA-FZQIFAQWSA-N (2R,6S,E)-6-(4-chlorobenzyl)-4-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione SCHEMBL17497487 |
Inchi Key | FDSZEPJEHLNGEA-FZQIFAQWSA-N |
Inchi ID | InChI=1S/C24H26ClNO3/c1-26-17-22(19-8-4-2-5-9-19)29-23(27)11-7-3-6-10-20(24(26)28)16-18-12-14-21(25)15-13-18/h2-6,8-9,12-15,20,22H,7,10-11,16-17H2,1H3/b6-3+/t20-,22-/m0/s1 |
PubChem CID | 71451242 |
ChEMBL | CHEMBL2152372 |
IUPHAR | N/A |
BindingDB | 50392972 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 8000.0 nM | PMID23074541 | BindingDB,ChEMBL |
Imax | 104.0 % | PMID23074541 | ChEMBL |
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