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

NameCHEMBL2430983
Molecular formulaC20H21N5O3
IUPAC name2-[[(2S)-1-[(2-methyl-5-pyridin-4-ylpyrazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
Molecular weight379.42
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-0.8
SynonymsBDBM50440693
LWMQAANXGYCZIW-KRWDZBQOSA-N
(S)-2-(1-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-ylamino)-1-oxo-3-phenylpropan-2-ylamino)acetic acid
SCHEMBL2684683
Inchi KeyLWMQAANXGYCZIW-KRWDZBQOSA-N
Inchi IDInChI=1S/C20H21N5O3/c1-25-18(12-16(24-25)15-7-9-21-10-8-15)23-20(28)17(22-13-19(26)27)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11,13H2,1H3,(H,23,28)(H,26,27)/t17-/m0/s1
PubChem CID67496729
ChEMBLCHEMBL2430983
IUPHARN/A
BindingDB50440693
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
198191Probable G-protein coupled receptor 142Q7TQN9Gpr142Mus musculus (Mouse)365
198192Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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