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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3604505
Molecular formula	C22H24Cl2N4O3S
IUPAC name	4-tert-butyl-N-[4-chloro-2-[6-chloro-3-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
Molecular weight	495.419
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.9
Synonyms	BDBM50113437
Inchi Key	BASDMFKCAMMQKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24Cl2N4O3S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)28-18-9-6-15(23)12-17(18)20-21(25-10-11-29)26-13-19(24)27-20/h4-9,12-13,28-29H,10-11H2,1-3H3,(H,25,26)
PubChem CID	122185769
ChEMBL	CHEMBL3604505
IUPHAR	N/A
BindingDB	50113437
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	715.0 nM	PMID26117562	BindingDB,ChEMBL

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