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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	CHEMBL430969
Molecular formula	C27H28N2O3
IUPAC name	4-(3,4-dimethoxyphenyl)-3-ethynyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
Molecular weight	428.532
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50018315 SCHEMBL10459284 (R)-2-Ethynyl-3',4'-dimethoxy-N-[1-methyl-4-(3-pyridinyl)butyl][1.1'-biphenyl]-4-carboxamide ALHVSDKNZPMBLQ-LJQANCHMSA-N 2-Ethynyl-3'',4''-dimethoxy-biphenyl-4-carboxylic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
Inchi Key	ALHVSDKNZPMBLQ-LJQANCHMSA-N
Inchi ID	InChI=1S/C27H28N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h1,7,10-19H,6,8-9H2,2-4H3,(H,29,30)/t19-/m1/s1
PubChem CID	14570103
ChEMBL	CHEMBL430969
IUPHAR	N/A
BindingDB	50018315
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	5.0 nM	PMID2754708	BindingDB,ChEMBL
Inhibition	22.0 %	PMID2754708	ChEMBL

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