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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	MLS001180103
Molecular formula	C16H15N3O2S
IUPAC name	N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
Molecular weight	313.375
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.5
Synonyms	ZINC02133401 AC1LWYKD cid_1788711 N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide N-{[2-(4-methylbenzoyl)hydrazino]carbonothioyl}benzamide ARONIS003396 MCULE-5981029631 SMR000477082 N-({2-[(4-methylphenyl)carbonyl]hydrazinyl}carbonothioyl)benzamide ZINC2133401 AKOS000493211 HMS2792A20 N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide N-{[2-(4-methylbenzoyl)hydrazino]carbothioyl}benzamide BB0280524 STK039010 CHEMBL1435343 N-[(p-toluoylamino)thiocarbamoyl]benzamide AN-329/40247628 KS-00003WEK N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide REGID_for_CID_1788711 BDBM80034 MolPort-001-028-409 [ Show all ]
Inchi Key	FMEMNCREVJAVHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15N3O2S/c1-11-7-9-13(10-8-11)15(21)18-19-16(22)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,21)(H2,17,19,20,22)
PubChem CID	1788711
ChEMBL	CHEMBL1435343
IUPHAR	N/A
BindingDB	80034
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	30200.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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