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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 | CHEMBL3604482 |
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Molecular formula | C22H22ClN3O4S |
IUPAC name | 2-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-3-hydroxypyridine-4-carboxamide |
Molecular weight | 459.945 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50113444 |
Inchi Key | GQYUIHOCVNCIDP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H22ClN3O4S/c1-22(2,3)13-4-7-15(8-5-13)31(29,30)26-18-9-6-14(23)12-17(18)19-20(27)16(21(24)28)10-11-25-19/h4-12,26-27H,1-3H3,(H2,24,28) |
PubChem CID | 122185746 |
ChEMBL | CHEMBL3604482 |
IUPHAR | N/A |
BindingDB | 50113444 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 52.0 nM | PMID26117562 | BindingDB,ChEMBL |
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