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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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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	3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular formula	C20H18ClN5
IUPAC name	3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	363.849
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.2
Synonyms	cid_3266722 ST50774087 [3-(4-Chloro-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-pyridin-2-ylmethyl-amine AC1MMU0S MCULE-1717769294 SCHEMBL16935038 F3305-0396 STK868155 [3-(4-chlorophenyl)-2,5-dimethyl(8-hydropyrazolo[1,5-a]pyrimidin-7-yl)](2-pyri dylmethyl)amine AKOS002306712 MLS000559839 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine CHEMBL1470925 SMR000439317 877804-71-2 HMS2792K04 ZINC5516469 [3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-pyridylmethyl)amine BDBM80026 MolPort-002-635-711 [ Show all ]
Inchi Key	GGELKXVVOOVMHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN5/c1-13-11-18(23-12-17-5-3-4-10-22-17)26-20(24-13)19(14(2)25-26)15-6-8-16(21)9-7-15/h3-11,23H,12H2,1-2H3
PubChem CID	3266722
ChEMBL	CHEMBL1470925
IUPHAR	N/A
BindingDB	80026
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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