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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	SCHEMBL342766
Molecular formula	C24H22ClF3N4O3S
IUPAC name	N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenesulfonamide
Molecular weight	538.97
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	4.9
Synonyms	CHEMBL3719280 IOSUAWDFYFIXQF-UHFFFAOYSA-N N-[4-Chloro-2-(pyridine-4-carbonyl)-phenyl]-4-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-benzenesulfonamide
Inchi Key	IOSUAWDFYFIXQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22ClF3N4O3S/c25-18-1-6-22(21(15-18)23(33)17-7-9-29-10-8-17)30-36(34,35)20-4-2-19(3-5-20)32-13-11-31(12-14-32)16-24(26,27)28/h1-10,15,30H,11-14,16H2
PubChem CID	59788719
ChEMBL	CHEMBL3719280
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	None	ChEMBL

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