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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.
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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	CHEMBL3604502
Molecular formula	C22H23ClN4O4S
IUPAC name	2-[[3-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]pyrazin-2-yl]amino]acetic acid
Molecular weight	474.96
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.2
Synonyms	BDBM50113433
Inchi Key	IBEDSNAOJOARAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN4O4S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)27-18-9-6-15(23)12-17(18)20-21(25-11-10-24-20)26-13-19(28)29/h4-12,27H,13H2,1-3H3,(H,25,26)(H,28,29)
PubChem CID	122185766
ChEMBL	CHEMBL3604502
IUPHAR	N/A
BindingDB	50113433
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	812.0 nM	PMID26117562	BindingDB,ChEMBL

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