Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1807053
Molecular formulaC19H24F3N3O3
IUPAC name3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
Molecular weight399.414
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL5409851
ZINC3986715
BDBM50348782
NCGC00379104-01
Inchi KeyPSUFQBRCUSJTDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
PubChem CID9822241
ChEMBLCHEMBL1807053
IUPHARN/A
BindingDB50348782
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 36
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2680035-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2680015-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2679855-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2679865-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
267992Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
452303Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
267972Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
267998Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
267991B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
267976B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
267977Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
267984Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
267979Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
268000Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
267990Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
267996Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
267981Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444
267988Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415
267971D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
267970D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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