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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	MLS001171697
Molecular formula	C23H22FN3OS2
IUPAC name	2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Molecular weight	439.567
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.6
Synonyms	2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CHEMBL1382003 SMR000589497 MCULE-2427285714 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one BDBM80039 MolPort-005-874-815 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(4-fluorophenyl)-6-methyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one cid_2460453 Z24750889 2-(2-dimethylaminoethylsulfanyl)-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one AC1M73U5 MLS-0354500.0001 2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-4-thieno[2,3-d]pyrimidinone REGID_for_CID_2460453 734545-70-1 HMS2907B20 ZINC3343977 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one AKOS033923472 [ Show all ]
Inchi Key	WIQVPSDSSXAQHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22FN3OS2/c1-15-19(16-9-11-17(24)12-10-16)20-21(30-15)25-23(29-14-13-26(2)3)27(22(20)28)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
PubChem CID	2460453
ChEMBL	CHEMBL1382003
IUPHAR	N/A
BindingDB	80039
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<66600.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	19100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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