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:

Ligand

NameCHEMBL3220888
Molecular formulaC21H30N4O2
IUPAC nameN-[N'-[3-[5-[(dimethylamino)methyl]furan-2-yl]propyl]carbamimidoyl]-3-phenylbutanamide
Molecular weight370.497
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsN/A
Inchi KeyBCHZZFRPLSLIAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30N4O2/c1-16(17-8-5-4-6-9-17)14-20(26)24-21(22)23-13-7-10-18-11-12-19(27-18)15-25(2)3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H3,22,23,24,26)
PubChem CID90667430
ChEMBLCHEMBL3220888
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20231Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
20232Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
20229Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
20233Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
20230Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
20234Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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