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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	SMR000152384
Molecular formula	C21H25N3OS
IUPAC name	2-(1-phenylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
Molecular weight	367.511
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.1
Synonyms	2-[(1-phenyl-2-benzimidazolyl)thio]-N,N-di(propan-2-yl)acetamide CHEMBL1379160 Z18970403 AB00460026-04 MCULE-2890253602 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)ethanamide BDBM61457 N,N-diisopropyl-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide cid_3275670 ZINC13147112 AC1MLUCZ MLS000565198 2-[(1-phenyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N,N-bis(propan-2-yl)acetamide 735323-13-4 HMS2460O14 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide AKOS033652142 MolPort-005-874-089 [ Show all ]
Inchi Key	CROYCPATHYJJFV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N3OS/c1-15(2)23(16(3)4)20(25)14-26-21-22-18-12-8-9-13-19(18)24(21)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
PubChem CID	3275670
ChEMBL	CHEMBL1379160
IUPHAR	N/A
BindingDB	61457
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	3824.31 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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