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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	ppm-18
Molecular formula	C17H11NO3
IUPAC name	N-(1,4-dioxonaphthalen-2-yl)benzamide
Molecular weight	277.279
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	2-Benzoylamino-1,4-naphthoquinone CHEMBL1717890 KB-275109 N-[1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide SCHEMBL170388 AC1L1J5Z D0Q4EG N-(1,4-dihydro-1,4-dioxo-2-naphthalenyl)-benzamide NSC 73233 SR-01000880847-2 1995AH BDBM80067 HMS3085F17 N-(1,4-dioxo-2-naphthalenyl)benzamide 65240-86-0 cid_4882 MLS002693850 NCIOpen2_004005 SMR001559791 AC1Q6B5V DTXSID80274449 N-(1,4-diketo-2-naphthyl)benzamide NSC-73233 ZINC1698939 2-Benzamido-1,4-naphthoquinone HSCI1_000119 N-(1,4-dioxonaphthalen-2-yl)benzamide SC-67837 CTK8G2549 MolPort-009-682-049 NQN-1 SR-01000880847 AKOS027422618 GTPL7058 n-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzamide NSC73233 [ Show all ]
Inchi Key	BIVQBWSIGJFXLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
PubChem CID	4882
ChEMBL	CHEMBL1717890
IUPHAR	N/A
BindingDB	80067
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	<66600.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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