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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 | CHEMBL2152362 |
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Molecular formula | C32H33ClN2O4 |
IUPAC name | 2-[(3R,6R,8E,11S)-6-benzyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-chlorophenyl)methyl]acetamide |
Molecular weight | 545.076 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50392962 2-((3R,6R,11S,E)-6-benzyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)-N-(4-chlorobenzyl)acetamide CGQFZMGRUMZRJD-BRSWAKDMSA-N SCHEMBL17497430 SCHEMBL17497433 |
Inchi Key | CGQFZMGRUMZRJD-BRSWAKDMSA-N |
Inchi ID | InChI=1S/C32H33ClN2O4/c33-28-17-15-24(16-18-28)21-34-30(36)20-27-14-8-7-13-26(19-23-9-3-1-4-10-23)31(37)35-29(22-39-32(27)38)25-11-5-2-6-12-25/h1-12,15-18,26-27,29H,13-14,19-22H2,(H,34,36)(H,35,37)/b8-7+/t26-,27+,29+/m1/s1 |
PubChem CID | 71461978 |
ChEMBL | CHEMBL2152362 |
IUPHAR | N/A |
BindingDB | 50392962 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6000.0 nM | PMID23074541 | BindingDB,ChEMBL |
Imax | 106.0 % | PMID23074541 | ChEMBL |
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