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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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GPCR

Name	Platelet-activating factor receptor
Species	Homo sapiens (Human)
Gene	PTAFR
Synonym	PAFr PAF-R PAF receptor AGEPC receptor
Disease	Nerve injury Ocular allergy Pain Unspecified Psoriasis Septic shock Solid tumours Stroke Thrombocytopenia Thromboembolism Inflammatory disease Inflammatory bowel disease Conjunctivitis Cerebral infarction Cardiac arrhythmias Allergy Asthma Brain ischaemia [ Show all ]
Length	342
Amino acid sequence	MEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFNEIKIFMVNLTMADMLFLITLPLWIVYYQNQGNWILPKFLCNVAGCLFFINTYCSVAFLGVITYNRFQAVTRPIKTAQANTRKRGISLSLVIWVAIVGAASYFLILDSTNTVPDSAGSGNVTRCFEHYEKGSVPVLIIHIFIVFSFFLVFLIILFCNLVIIRTLLMQPVQQQRNAEVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGFQDSKFHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLTEKFYSMRSSRKCSRATTDTVTEVVVPFNQIPGNSLKN
UniProt	P25105
Protein Data Bank	5zkq, 5zkp
GPCR-HGmod model	P25105
3D structure model	This structure is from PDB ID 5zkq.
BioLiP	BL0417415, BL0417417,BL0417419, BL0417416,BL0417418, BL0417414
Therapeutic Target Database	T87023
ChEMBL	CHEMBL250
IUPHAR	334
DrugBank	BE0005561

Ligand

Name	CHEMBL20194
Molecular formula	C28H15F4N5O2
IUPAC name	2-[3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight	529.455
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BEZCSEHUPFTOSA-UHFFFAOYSA-N SCHEMBL9382688 1-Trifluoromethyl-6-(2-fluorophenyl)-8-[3-[(2,3-dihydro-1,3-dioxo-1H-isoindol)-2-yl]-1-propynyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 2-{3-[6-(2-Fluoro-phenyl)-1-trifluoromethyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione BDBM50011631 2-{3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][4,1]benzodiazepin-8-yl]-2-ProPynyl}-1H-isoindole-1,3(2H)-dione [ Show all ]
Inchi Key	BEZCSEHUPFTOSA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H15F4N5O2/c29-21-10-4-3-9-19(21)24-20-14-16(6-5-13-36-25(38)17-7-1-2-8-18(17)26(36)39)11-12-22(20)37-23(15-33-24)34-35-27(37)28(30,31)32/h1-4,7-12,14H,13,15H2
PubChem CID	14851908
ChEMBL	CHEMBL20194
IUPHAR	N/A
BindingDB	50011631
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5.0 nM	PMID2002463	BindingDB,ChEMBL
ID50	0.4 mg.kg-1	PMID2002463	ChEMBL
Inhibition	9.0 %	PMID2002463	ChEMBL
Inhibition	97.0 %	PMID2002463	ChEMBL

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