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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	n-phenylpyridine-2-carbothioamide
Molecular formula	C12H10N2S
IUPAC name	N-phenylpyridine-2-carbothioamide
Molecular weight	214.286
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	CTK1G7013 N-phenyl-2-pyridinecarbothioamide Pyridine-2-carbothioic acid phenylamide AKOS000361103 MLS000532669 N-phenylthiopicolinamide SMR000137608 2-Pyridinecarbothioamide, N-phenyl- CHEMBL114544 MLS000736600-03 NSC45291 thiopicolinanilide AC1LFSSO HMS2184O17 N-phenyl-pyridine-2-carbothioamide Pyridinecarbothioamide, N-phenyl- BDBM79975 MLS000736600 N2-phenylpyridine-2-carbothioamide SR-01000389065 50306-93-9 cid_759327 MolPort-001-786-430 Oprea1_066518 ZINC4557220 AC1Q7EKC MCULE-9797027351 SCHEMBL2744859 13225-84-8 MLS000736600-02 NSC-45291 SR-01000389065-1 [ Show all ]
Inchi Key	HOMILEBHBIPJEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
PubChem CID	759327
ChEMBL	CHEMBL114544
IUPHAR	N/A
BindingDB	79975
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	16900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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