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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	SMR000176604
Molecular formula	C28H29NO
IUPAC name	1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
Molecular weight	395.546
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.7
Synonyms	1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol BDBM79997 Oprea1_231651 499191-71-8 cid_3127163 AKOS005221763 MLS000566842 1,3,5-trimethyl-2,6-diphenyl-4-(phenylethynyl)piperidin-4-ol Oprea1_504407 HMS2538I05 ST059936 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)-4-piperidinol BAS 01176298 MolPort-001-957-299 1,3,5-Trimethyl-2,6-diphenyl-4-phenylethynyl-piperidin-4-ol CHEMBL1351473 REGID_for_CID_3127163 AC1MIVGE MCULE-1431885681 STL297539 [ Show all ]
Inchi Key	HMVLFUWQWMPWKQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3
PubChem CID	3127163
ChEMBL	CHEMBL1351473
IUPHAR	N/A
BindingDB	79997
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

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