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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	CHEMBL279084
Molecular formula	C29H19F4N5O
IUPAC name	1-[3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]-3,4-dihydroquinolin-2-one
Molecular weight	529.499
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50011617 1-{3-[6-(2-fluorophenyl)-1-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][4,1]benzodiazepin-8-yl]-2-propynyl}-3,4-dihydro-2(1H)-quinolinone BINQRKBZDCSMSE-UHFFFAOYSA-N 1-Trifluoromethyl-6-(2-fluorophenyl)-8-[3-[(1,2,3,4-tetrahydro-2-oxoquinolin)-1-yl]-1-propynyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine SCHEMBL10407516 1-{3-[6-(2-Fluoro-phenyl)-1-trifluoromethyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-3,4-dihydro-1H-quinolin-2-one [ Show all ]
Inchi Key	BINQRKBZDCSMSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H19F4N5O/c30-22-9-3-2-8-20(22)27-21-16-18(6-5-15-37-23-10-4-1-7-19(23)12-14-26(37)39)11-13-24(21)38-25(17-34-27)35-36-28(38)29(31,32)33/h1-4,7-11,13,16H,12,14-15,17H2
PubChem CID	14851920
ChEMBL	CHEMBL279084
IUPHAR	N/A
BindingDB	50011617
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	200.0 nM	PMID2002463	BindingDB,ChEMBL
ID50	0.03 mg.kg-1	PMID2002463	ChEMBL
Inhibition	0.0 %	PMID2002463	ChEMBL
Inhibition	100.0 %	PMID2002463	ChEMBL

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