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

You can:

GPCR

NamePlatelet-activating factor receptor
SpeciesMus musculus (Mouse)
GenePtafr
SynonymAGEPC receptor
PAF receptor
PAF-R
PAFr
DiseaseN/A for non-human GPCRs
Length341
Amino acid sequenceMEHNGSFRVDSEFRYTLFPIVYSVIFILGVVANGYVLWVFANLYPSKKLNEIKIFMVNLTMADLLFLITLPLWIVYYYNEGDWILPNFLCNVAGCLFFINTYCSVAFLGVITYNRYQAVAYPIKTAQATTRKRGISLSLIIWVSIVATASYFLATDSTNLVPNKDGSGNITRCFEHYEPYSVPILVVHVFIAFCFFLVFFLIFYCNLVIIHTLLTQPMRQQRKAGVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGYQTNFHQAINDAHQITLCLLSTNCVLDPVIYCFLTKKFRKHLSEKFYSMRSSRKCSRATSDTCTEVIVPANQTPIVSLKN
UniProtQ62035
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3993
IUPHAR334
DrugBankN/A

Ligand

NameCHEMBL119847
Molecular formulaC23H19N5O
IUPAC name1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one
Molecular weight381.439
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50033218
SCHEMBL9386241
1-Methyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
1-Methyl-4-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-1H-1,5-benzodiazepin-2(3H)-one
Inchi KeyFWMSCMAWBURVDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19N5O/c1-15-25-20-14-24-12-11-22(20)28(15)17-9-7-16(8-10-17)19-13-23(29)27(2)21-6-4-3-5-18(21)26-19/h3-12,14H,13H2,1-2H3
PubChem CID10452437
ChEMBLCHEMBL119847
IUPHARN/A
BindingDB50033218
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
ED500.03 mg.kg-1PMID7658438ChEMBL

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