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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 | CHEMBL3814185 |
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Molecular formula | C18H19NO2S |
IUPAC name | 4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid |
Molecular weight | 313.415 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | AKOS000800865 ZINC1350586 ASN 09857957 4-(4-tert-Butyl-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid AC1LT07U [ Show all ] |
Inchi Key | DXRXLWDGEYKPAF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19NO2S/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-22-16(14)10-15(19)17(20)21/h4-10H,11H2,1-3H3,(H,20,21) |
PubChem CID | 1448028 |
ChEMBL | CHEMBL3814185 |
IUPHAR | N/A |
BindingDB | 50178944 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 232.0 nM | PMID27256913 | BindingDB,ChEMBL |
Inhibition | <75.0 % | PMID27256913 | ChEMBL |
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