Zhang Lab

University of Michigan

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 ●DMFold ●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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	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] BDBM50048485 ETHYL4-METHYL-2-[METHYL-[4-[(2-METHYLIMIDAZO[4,5-C]PYRIDIN-1-YL)METHYL]PHENYL]SULFONYLAMINO]PENTANOATE UNII-H14917M9YW [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
12047	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342
12048	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218