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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 9
Species	Homo sapiens (Human)
Gene	CCR9
Synonym	CC-CKR-9 GPR28 GPR-9-6 GPR 9-6 G-protein coupled receptor 28 C-C CKR-9 CCR-9 CCR9 [ 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

Ligand

Name	CHEMBL3604477
Molecular formula	C21H22ClN3O2S
IUPAC name	N-[2-(3-aminopyridin-2-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
Molecular weight	415.936
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM50113448
Inchi Key	AXNJHSMDLJEOOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22ClN3O2S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)25-19-11-8-15(22)13-17(19)20-18(23)5-4-12-24-20/h4-13,25H,23H2,1-3H3
PubChem CID	122185741
ChEMBL	CHEMBL3604477
IUPHAR	N/A
BindingDB	50113448
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	95.0 nM	PMID26117562	BindingDB,ChEMBL

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