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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	CHEMBL118672
Molecular formula	C27H27N7O2
IUPAC name	N,N-diethyl-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-oxo-3H-pyrido[2,3-b][1,4]diazepine-8-carboxamide
Molecular weight	481.56
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM50033230 N,N-Diethyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-oxo-5-methyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine-8-carboxamide 5-Methyl-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4-oxo-4,5-dihydro-3H-pyrido[3,4-b][1,4]diazepine-8-carboxylic acid diethylamide
Inchi Key	BKCBZQAFYITIIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27N7O2/c1-5-33(6-2)27(36)19-13-22-26(29-15-19)32(4)25(35)14-21(31-22)18-7-9-20(10-8-18)34-17(3)30-23-16-28-12-11-24(23)34/h7-13,15-16H,5-6,14H2,1-4H3
PubChem CID	10480355
ChEMBL	CHEMBL118672
IUPHAR	N/A
BindingDB	50033230
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	0.01 mg.kg-1	PMID7658439	ChEMBL

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