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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 | CHEMBL3604492 |
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Molecular formula | C20H21ClN4O3S |
IUPAC name | N-[2-(6-amino-5-hydroxypyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide |
Molecular weight | 432.923 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50113357 |
Inchi Key | FRBFFLDWVHPQRO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)17-18(26)19(22)24-11-23-17/h4-11,25-26H,1-3H3,(H2,22,23,24) |
PubChem CID | 122185756 |
ChEMBL | CHEMBL3604492 |
IUPHAR | N/A |
BindingDB | 50113357 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 14.0 nM | PMID26117562 | BindingDB,ChEMBL |
IC50 | 340.0 nM | PMID26117562 | BindingDB,ChEMBL |
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