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

You can:

Ligand

NameUR-PG55B
Molecular formulaC22H23F2N5O
IUPAC name3,3-bis(4-fluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide
Molecular weight411.457
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.4
Synonyms3,3-bis(4-fluorophenyl)-N-{N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl}propanamide
GTPL1202
CHEMBL513883
BDBM50413176
D0UG1U
Inchi KeyBRPONMOKDIJLJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23F2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)
PubChem CID25150704
ChEMBLCHEMBL513883
IUPHAR1202
BindingDB50413176
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31227Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
31228Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
31226Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359

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