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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	MLS000331008
Molecular formula	C19H17F3N4O4
IUPAC name	2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy]acetohydrazide
Molecular weight	422.364
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.6
Synonyms	ST50471087 2-[(4E)-3-keto-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolin-3-ylidene]cyclohexa-1,5-dien-1-yl]oxyacetohydrazide cid_12005693 MCULE-8526366417 ZINC18046579 2-[(4Z)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyacetohydrazide AC1O9ACS MolPort-001-733-788 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy}acetohydrazide STK829598 2-[(4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanehydrazide 879464-60-5 F3385-1487 {3-Hydroxy-4-[4-(4-methoxy-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-phenoxy}-acetic acid hydrazide 2-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyacetohydrazide AKOS002226435 SMR000221051 2-(3-hydroxy-4-(4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)phenoxy)acetohydrazide 5-(???methoxy)-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenol CHEMBL1526545 VU0616870-1 2-[(4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyacetohydrazide AC1NW7WK HMS2560D15 MolPort-000-809-678 2-[[(4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]acetohydrazide BDBM61504 [ Show all ]
Inchi Key	BNUDLNJGHPVWMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17F3N4O4/c1-29-11-4-2-10(3-5-11)16-17(25-26-18(16)19(20,21)22)13-7-6-12(8-14(13)27)30-9-15(28)24-23/h2-8,27H,9,23H2,1H3,(H,24,28)(H,25,26)
PubChem CID	2014540
ChEMBL	CHEMBL1526545
IUPHAR	N/A
BindingDB	61504
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	2750.48 nM	PubChem BioAssay data set	ChEMBL
IC50	2750.48 nM	N/A	BindingDB

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