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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 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	MLS000573225
Molecular formula	C16H15ClN4O3S2
IUPAC name	N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
Molecular weight	410.891
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide STK033867 HMS2514G05 N-{[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]carbonothioyl}-2-thiophenecarboxamide MolPort-002-193-879 REGID_for_CID_2894113 BDBM51709 N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide ZINC4607750 CHEMBL1500450 MCULE-6569298935 N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}thiophene-2-carboxamide AC1MFGLQ N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide SMR000194726 C16H15ClN4O3S2 N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide 371140-69-1 cid_2894113 Oprea1_303165 AKOS000472154 [ Show all ]
Inchi Key	ALVGDMCSDZDMMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15ClN4O3S2/c17-11-3-4-12(13(10-11)21(23)24)19-5-7-20(8-6-19)16(25)18-15(22)14-2-1-9-26-14/h1-4,9-10H,5-8H2,(H,18,22,25)
PubChem CID	2894113
ChEMBL	CHEMBL1500450
IUPHAR	N/A
BindingDB	51709
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	33300.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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