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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	LEXIPAFANT
Molecular formula	C23H30N4O4S
IUPAC name	ethyl (2S)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanoate
Molecular weight	458.577
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.5
Synonyms	UNII-H14917M9YW BDBM50048485 ETHYL4-METHYL-2-[METHYL-[4-[(2-METHYLIMIDAZO[4,5-C]PYRIDIN-1-YL)METHYL]PHENYL]SULFONYLAMINO]PENTANOATE 139133-26-9 CHEMBL322832 N-Methyl-N-((alpha-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)-p-tolyl)sulfonyl)-L-leucine, ethyl ester BB 882 D0I0UE ZINC1851122 Benzothiadiazines H14917M9YW Lexipafant (USAN/INN) 4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzenesulfonyl]-amino}-pentanoic acid ethyl ester(Lexipafant (BB-882)) D04724 SCHEMBL194598 BB-882 DO6 (S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzenesulfonyl]-amino}-pentanoic acid ethyl ester L-Leucine, N-methyl-N-((4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)ethyl)phenyl)sulfonyl)-, ethyl ester Lexipafant [USAN:INN:BAN] D05LYN [ Show all ]
Inchi Key	AQRXDPFOYJSPMP-QFIPXVFZSA-N
Inchi ID	InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
PubChem CID	9804204
ChEMBL	CHEMBL322832
IUPHAR	N/A
BindingDB	50048485
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.38 nM	PMID9438024	ChEMBL

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