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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 | MLS000054481 |
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Molecular formula | C26H39N3O2 |
IUPAC name | 2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethyl]phenol |
Molecular weight | 425.617 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | cid_2998271 ST50037433 2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)piperazin-1-yl](pyridin-3-yl)methyl}phenol AKOS016290537 2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethyl]phenol [ Show all ] |
Inchi Key | BCZBEPCVKBTUCC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H39N3O2/c1-25(2,3)21-16-20(17-22(24(21)31)26(4,5)6)23(19-8-7-9-27-18-19)29-12-10-28(11-13-29)14-15-30/h7-9,16-18,23,30-31H,10-15H2,1-6H3 |
PubChem CID | 2998271 |
ChEMBL | CHEMBL1458840 |
IUPHAR | N/A |
BindingDB | 70339 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 35900.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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