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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.
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GPCR

Name	C-C chemokine receptor type 6
Species	Homo sapiens (Human)
Gene	CCR6
Synonym	DRY6 G-protein coupled receptor 29 GPR-CY4 GPR29 GPRCY4 LARC receptor DRY-6 DCCR2 CKR-L3 Chemokine receptor-like 3 CD196 CCR6 CCR-6 CC-CKR-6 C-C CKR-6 STRL22 [ Show all ]
Disease	N/A
Length	374
Amino acid sequence	MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProt	P51684
Protein Data Bank	N/A
GPCR-HGmod model	P51684
3D structure model	This predicted structure model is from GPCR-EXP P51684.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4423
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS000574219
Molecular formula	C18H13ClN2O3
IUPAC name	4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide
Molecular weight	340.763
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	4-chloro-3-(2,5-dioxo-1-pyrrolyl)-N-(4-methylphenyl)benzamide MolPort-002-213-003 SR-01000239526-1 4-chloro-3-maleimido-N-(p-tolyl)benzamide HMS2274C17 AC1LHDBG MCULE-3545800132 4-chloro-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(4-methylphenyl)benzamide CHEMBL1447350 SMR000195810 ZINC457881 ksc-223-1 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-chloranyl-N-(4-methylphenyl)benzamide BDBM66051 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide cid_885550 SR-01000239526 AB00112820-01 KUC105881N [ Show all ]
Inchi Key	ACSISLCYYDRVIM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)
PubChem CID	885550
ChEMBL	CHEMBL1447350
IUPHAR	N/A
BindingDB	66051
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	22000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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