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Name | C-C chemokine receptor type 6 |
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Species | Homo sapiens (Human) |
Gene | CCR6 |
Synonym | DRY6 G-protein coupled receptor 29 GPR-CY4 GPR29 GPRCY4 [ Show all ] |
Disease | N/A |
Length | 374 |
Amino acid sequence | MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM |
UniProt | P51684 |
Protein Data Bank | N/A |
GPCR-HGmod model | P51684 |
3D structure model | This predicted structure model is from GPCR-EXP P51684. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4423 |
IUPHAR | N/A |
DrugBank | N/A |
Name | MLS001019021 |
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Molecular formula | C20H25Cl2N3O3 |
IUPAC name | N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide |
Molecular weight | 426.338 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | 2-[2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]oxyethanoyl-ethyl-amino]-N-tert-butyl-ethanamide cid_2442939 SMR000363357 AC1M7J81 MolPort-004-030-499 [ Show all ] |
Inchi Key | HKJFGEXDSONTPW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26) |
PubChem CID | 2442939 |
ChEMBL | CHEMBL1454171 |
IUPHAR | N/A |
BindingDB | 80023 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 20600.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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