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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 | CHEMBL3604495 |
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Molecular formula | C21H22ClN3O4S |
IUPAC name | 4-tert-butyl-N-[4-chloro-2-[5-hydroxy-6-(hydroxymethyl)pyrimidin-4-yl]phenyl]benzenesulfonamide |
Molecular weight | 447.934 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50113360 |
Inchi Key | FQXQNROKDODNHX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3 |
PubChem CID | 122185759 |
ChEMBL | CHEMBL3604495 |
IUPHAR | N/A |
BindingDB | 50113360 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 11.0 nM | PMID26117562 | BindingDB,ChEMBL |
IC50 | 325.0 nM | PMID26117562 | BindingDB,ChEMBL |
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