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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 | MLS000392397 |
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Molecular formula | C20H20BrN3O3S |
IUPAC name | N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide |
Molecular weight | 462.362 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | CHEMBL1506728 N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide 728941-50-2 MCULE-8535998152 SMR000261357 [ Show all ] |
Inchi Key | HCQWEAKUEYTKEF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20BrN3O3S/c21-16-3-1-2-15(11-16)19(25)22-20(28)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2,(H,22,25,28) |
PubChem CID | 2394933 |
ChEMBL | CHEMBL1506728 |
IUPHAR | N/A |
BindingDB | 54271 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 33200.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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