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GLASS

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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	CHEMBL283152
Molecular formula	C29H20FN5O2
IUPAC name	2-[3-[1-ethyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]prop-2-ynyl]isoindole-1,3-dione
Molecular weight	489.51
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	1-Ethyl-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 BDBM50011620 SCHEMBL9382672 2-{3-[1-Ethyl-6-(2-fluoro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione
Inchi Key	CTRLDMFOIYQMMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H20FN5O2/c1-2-25-32-33-26-17-31-27(21-11-5-6-12-23(21)30)22-16-18(13-14-24(22)35(25)26)8-7-15-34-28(36)19-9-3-4-10-20(19)29(34)37/h3-6,9-14,16H,2,15,17H2,1H3
PubChem CID	14851895
ChEMBL	CHEMBL283152
IUPHAR	N/A
BindingDB	50011620
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	100.0 nM	PMID2002463	BindingDB,ChEMBL
ID50	0.05 mg.kg-1	PMID2002463	ChEMBL
Inhibition	99.0 %	PMID2002463	ChEMBL

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