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GLASS

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GPCR

Name	Cannabinoid receptor 2
Species	Homo sapiens (Human)
Gene	CNR2
Synonym	Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) CB-2 CB2 CB2 receptor CB2-R CX5 [ Show all ]
Disease	Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis Pain Atopic dermatitis Rheumatoid arthritis [ Show all ]
Length	360
Amino acid sequence	MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProt	P34972
Protein Data Bank	5zty
GPCR-HGmod model	P34972
3D structure model	This structure is from PDB ID 5zty.
BioLiP	BL0438927
Therapeutic Target Database	T37693
ChEMBL	CHEMBL253
IUPHAR	57
DrugBank	BE0000095

Ligand

Name	AM251
Molecular formula	C22H21Cl2IN4O
IUPAC name	1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight	555.241
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl- NCGC00025011-03 AKOS024456393 SR-01000597360 BC600320 Bio2_000725 C22H21Cl2IN4O CTK8E9265 HMS1791M07 HY-15443 KBioGR_000245 MolPort-003-983-507 N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide s2819 AM-251 SW197754-2 BDBM21279 BRD-K92000912-001-02-7 CHEBI:90724 DTXSID7042695 HMS3267K22 KBio2_000245 L000964 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide 183232-66-8 NCGC00025011-01 AC1L1CZ3 SCHEMBL1040316 AM251/AM-251 ZINC1997139 Bio1_001097 BUZAJRPLUGXRAB-UHFFFAOYSA-N CPD000466284 GTPL3317 HMS3649G04 KBio3_000489 MLS000758233 NCGC00025011-04 AM 251 SR-01000597360-1 BCP21728 BML3-F08 CBiol_001833 D08YQT HMS1989M07 IDI1_033995 KBioSS_000245 N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide N-Piperidino-1-(2,4-dichlorophenyl)-4-methyl-5-(4-iodophenyl)-1H-pyrazole-3-carboxamide 3I4FA44MAI SAM001247081 Tocris-1117 Bio1_000119 BRD-K92000912-001-06-8 EX-A696 HMS3394K15 KBio2_002813 LS-184236 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide 1h-pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-n-1-piperidinyl- NCGC00025011-02 AC1Q5Q3V SMR000466284 AOB33718 Bio2_000245 C20220 CS-3920 HMS1361M07 HMS3651B15 KBio3_000490 MLS001424171 N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide 2208AH RT-011260 AM 251 (pharmaceutical) SR-01000597360-6 BCP9000280 BN0063 CCG-101124 DB-004430 HMS2052K15 J-011727 KS-0000180H 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide NC00374 4CA-0138 SB19550 AM251, >98% (HPLC), solid UNII-3I4FA44MAI Bio1_000608 BSPBio_001525 CHEMBL285932 FT-0661538 HMS3402M07 KBio2_005381 MFCD01861181 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide [ Show all ]
Inchi Key	BUZAJRPLUGXRAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PubChem CID	2125
ChEMBL	CHEMBL285932
IUPHAR	3317
BindingDB	21279
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	110.0 nM	PMID18579386	PDSP,BindingDB,ChEMBL
Ki	112.0 nM	PMID18293908, PMID20943290, PMID19595596	PDSP,BindingDB,ChEMBL
Ki	2290.0 nM	PMID20218623	BindingDB,ChEMBL
Ki	8912510.0 nM	PMID21183257	ChEMBL

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