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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 | CHEMBL497003 |
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Molecular formula | C23H22N6 |
IUPAC name | 1-(pyridin-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine |
Molecular weight | 382.471 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.3 |
Synonyms | SCHEMBL3613533 1-(4-pyridylmethyl)-4-[4-(2-pyridyl)piperazino]phthalazine AKOS004916945 1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine BDBM50268375 [ Show all ] |
Inchi Key | HVCKRXNCZNJASA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2 |
PubChem CID | 20875737 |
ChEMBL | CHEMBL497003 |
IUPHAR | N/A |
BindingDB | 50268375 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 690.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 3690.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 4493.0 nM | PMID19469545 | BindingDB,ChEMBL |
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