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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	MLS000388665
Molecular formula	C23H18N4O2
IUPAC name	N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide
Molecular weight	382.423
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.3
Synonyms	CHEMBL1309871 N''-benzoyl-2,5-diphenyl-pyrazole-3-carbohydrazide 875156-62-0 MCULE-7736272713 N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide BDBM80006 MolPort-004-137-223 ZINC5634757 2,5-diphenyl-N''-(phenylcarbonyl)pyrazole-3-carbohydrazide cid_4883406 N''-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide AC1NK75H MLS-0208644.0001 SMR000254838 N''-benzoyl-2,5-diphenyl-3-pyrazolecarbohydrazide HMS2565I10 N'-(1,3-diphenyl-1H-pyrazole-5-carbonyl)benzohydrazide AKOS034081550 Z29287623 [ Show all ]
Inchi Key	BWSDYKXKOONUOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
PubChem CID	4883406
ChEMBL	CHEMBL1309871
IUPHAR	N/A
BindingDB	80006
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	9410.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	25500.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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