Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Platelet-activating factor receptor
Species	Cavia porcellus (Guinea pig)
Gene	PTAFR
Synonym	PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	342
Amino acid sequence	MELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProt	P21556
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5136
IUPHAR	N/A
DrugBank	N/A

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	BDBM50048485 ETHYL4-METHYL-2-[METHYL-[4-[(2-METHYLIMIDAZO[4,5-C]PYRIDIN-1-YL)METHYL]PHENYL]SULFONYLAMINO]PENTANOATE UNII-H14917M9YW 139133-26-9 CHEMBL322832 BB 882 D0I0UE N-Methyl-N-((alpha-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)-p-tolyl)sulfonyl)-L-leucine, ethyl ester Benzothiadiazines H14917M9YW ZINC1851122 4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzenesulfonyl]-amino}-pentanoic acid ethyl ester(Lexipafant (BB-882)) D04724 Lexipafant (USAN/INN) BB-882 DO6 SCHEMBL194598 (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 D05LYN Lexipafant [USAN:INN:BAN] [ 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	0.4 nM	PMID9438024	BindingDB
Ki	0.4 nM	PMID9438024	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417