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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 | CHEMBL523255 |
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Molecular formula | C27H28N6O |
IUPAC name | N-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]methyl]acetamide |
Molecular weight | 452.562 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | N-{6-[4-(4-Benzyl-phthalazin-1-yl)-piperazin-1-yl]-pyridin-3-ylmethyl}-acetamide N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide BDBM50269111 FVUDSNFHNJZONL-UHFFFAOYSA-N SCHEMBL3607196 |
Inchi Key | FVUDSNFHNJZONL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N6O/c1-20(34)28-18-22-11-12-26(29-19-22)32-13-15-33(16-14-32)27-24-10-6-5-9-23(24)25(30-31-27)17-21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,28,34) |
PubChem CID | 25065894 |
ChEMBL | CHEMBL523255 |
IUPHAR | N/A |
BindingDB | 50269111 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 35.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 96.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 327.0 nM | PMID19469545 | BindingDB,ChEMBL |
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