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Name | C-C chemokine receptor type 9 |
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Species | Homo sapiens (Human) |
Gene | CCR9 |
Synonym | CC-CKR-9 GPR28 GPR-9-6 GPR 9-6 G-protein coupled receptor 28 [ Show all ] |
Disease | Crohn's disease Sjogren's syndrome |
Length | 369 |
Amino acid sequence | MTPTDFTSPIPNMADDYGSESTSSMEDYVNFNFTDFYCEKNNVRQFASHFLPPLYWLVFIVGALGNSLVILVYWYCTRVKTMTDMFLLNLAIADLLFLVTLPFWAIAAADQWKFQTFMCKVVNSMYKMNFYSCVLLIMCISVDRYIAIAQAMRAHTWREKRLLYSKMVCFTIWVLAAALCIPEILYSQIKEESGIAICTMVYPSDESTKLKSAVLTLKVILGFFLPFVVMACCYTIIIHTLIQAKKSSKHKALKVTITVLTVFVLSQFPYNCILLVQTIDAYAMFISNCAVSTNIDICFQVTQTIAFFHSCLNPVLYVFVGERFRRDLVKTLKNLGCISQAQWVSFTRREGSLKLSSMLLETTSGALSL |
UniProt | P51686 |
Protein Data Bank | 5lwe |
GPCR-HGmod model | P51686 |
3D structure model | This structure is from PDB ID 5lwe. |
BioLiP | BL0364069,BL0364071, BL0364070 |
Therapeutic Target Database | T97873 |
ChEMBL | CHEMBL5815 |
IUPHAR | 66 |
DrugBank | N/A |
Name | CHEMBL3604478 |
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Molecular formula | C22H23ClN2O3S |
IUPAC name | 4-tert-butyl-N-[4-chloro-2-[3-(hydroxymethyl)pyridin-2-yl]phenyl]benzenesulfonamide |
Molecular weight | 430.947 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50113447 |
Inchi Key | BEIRCCYWJWRLDH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23ClN2O3S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)25-20-11-8-17(23)13-19(20)21-15(14-26)5-4-12-24-21/h4-13,25-26H,14H2,1-3H3 |
PubChem CID | 122185742 |
ChEMBL | CHEMBL3604478 |
IUPHAR | N/A |
BindingDB | 50113447 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 89.0 nM | PMID26117562 | BindingDB,ChEMBL |
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