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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SCHEMBL344604
Molecular formula	C23H21ClN2O5S
IUPAC name	methyl 3-[4-[[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight	472.94
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.4
Synonyms	CHEMBL3719064 3{4-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester DSTYIYJVFNISRX-UHFFFAOYSA-N 3-{4-[4-Chloro-2(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester 3-{4-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
Inchi Key	DSTYIYJVFNISRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21ClN2O5S/c1-15-3-7-17(14-25-15)23(28)20-13-18(24)8-11-21(20)26-32(29,30)19-9-4-16(5-10-19)6-12-22(27)31-2/h3-5,7-11,13-14,26H,6,12H2,1-2H3
PubChem CID	10322607
ChEMBL	CHEMBL3719064
IUPHAR	N/A
BindingDB	N/A
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	100.0 nM	None	ChEMBL
IC50	>1000.0 nM	None	ChEMBL

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