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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 | CHEMBL3604496 |
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Molecular formula | C22H24ClN3O3S |
IUPAC name | 4-tert-butyl-N-[4-chloro-2-(6-ethyl-5-hydroxypyrimidin-4-yl)phenyl]benzenesulfonamide |
Molecular weight | 445.962 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | BDBM50113427 |
Inchi Key | AMDPYADVZKWBBY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H24ClN3O3S/c1-5-18-21(27)20(25-13-24-18)17-12-15(23)8-11-19(17)26-30(28,29)16-9-6-14(7-10-16)22(2,3)4/h6-13,26-27H,5H2,1-4H3 |
PubChem CID | 122185760 |
ChEMBL | CHEMBL3604496 |
IUPHAR | N/A |
BindingDB | 50113427 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.0 nM | PMID26117562 | BindingDB |
IC50 | 6.0 nM | PMID26117562 | ChEMBL |
IC50 | 60.0 nM | PMID26117562 | BindingDB,ChEMBL |
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