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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	CHEMBL143037
Molecular formula	C24H26N4O3S
IUPAC name	11-oxo-2-propan-2-yl-N-(4-pyridin-3-ylbutyl)pyrido[2,1-b]quinazoline-8-sulfonamide
Molecular weight	450.557
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-sulfonic acid (4-pyridin-3-yl-butyl)-amide BDBM50023318
Inchi Key	CUWDEWBTCUPBBR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N4O3S/c1-17(2)19-8-10-22-21(14-19)24(29)28-16-20(9-11-23(28)27-22)32(30,31)26-13-4-3-6-18-7-5-12-25-15-18/h5,7-12,14-17,26H,3-4,6,13H2,1-2H3
PubChem CID	13999751
ChEMBL	CHEMBL143037
IUPHAR	N/A
BindingDB	50023318
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	<1000.0 nM	PMID3339617	BindingDB,ChEMBL
Inhibition	7.0 %	PMID3339617	ChEMBL

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