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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 | 3-(4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl)-propionic acid methyl ester |
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Molecular formula | C23H21ClN2O5S |
IUPAC name | methyl 3-[4-[[4-chloro-2-(2-methylpyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate |
Molecular weight | 472.94 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | SCHEMBL344225 CHEMBL3717061 3-{4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester FYWBSYBXZYTZBM-UHFFFAOYSA-N |
Inchi Key | FYWBSYBXZYTZBM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H21ClN2O5S/c1-15-19(4-3-13-25-15)23(28)20-14-17(24)8-11-21(20)26-32(29,30)18-9-5-16(6-10-18)7-12-22(27)31-2/h3-6,8-11,13-14,26H,7,12H2,1-2H3 |
PubChem CID | 10027807 |
ChEMBL | CHEMBL3717061 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 100.0 nM | None | ChEMBL |
IC50 | >1000.0 nM | None | ChEMBL |
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