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

NameAC1NIFRM
Molecular formulaC19H24N6O5
IUPAC name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Molecular weight416.438
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP0.5
SynonymsMLS002163842
CHEMBL1376372
MolPort-005-322-612
HMS3050G03
ZINC9666655
[ Show all ]
Inchi KeyCWNWSXYXSBWNQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N6O5/c1-22-16-15(17(28)23(2)18(22)29)25(12-21-16)9-14(27)30-10-13(26)24(3)19(11-20)7-5-4-6-8-19/h12H,4-10H2,1-3H3
PubChem CID4855374
ChEMBLCHEMBL1376372
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52253Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
52252Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
52251Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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