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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 | CHEMBL495608 |
---|---|
Molecular formula | C26H21N7 |
IUPAC name | 6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile |
Molecular weight | 431.503 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.8 |
Synonyms | 6-{4-[4-(4-Cyanobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile BDBM50268495 SCHEMBL3598111 |
Inchi Key | FEGUPQZONWIBEH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2 |
PubChem CID | 25065678 |
ChEMBL | CHEMBL495608 |
IUPHAR | N/A |
BindingDB | 50268495 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 20.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 23.0 nM | PMID19469545 | BindingDB,ChEMBL |
IC50 | 256.0 nM | PMID19469545 | BindingDB,ChEMBL |
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