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

NameCHEMBL213284
Molecular formulaC31H37FN6O4
IUPAC name(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-[3-(carbamoylamino)propyl]-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
Molecular weight576.673
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50189015
1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propanoyl)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxopiperazin-2-yl)propyl)urea
Inchi KeyCAPRWXCJSDCJMN-PVHODMMVSA-N
Inchi IDInChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1
PubChem CID44416122
ChEMBLCHEMBL213284
IUPHARN/A
BindingDB50189015
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37420Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
37421Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
37422Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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