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

NameCHEMBL2440905
Molecular formulaC44H61N13O8
IUPAC nameN-(2-aminoethyl)-N'-[2-[[4-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethylamino]-4-oxobutanoyl]amino]ethyl]butanediamide
Molecular weight900.055
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP-2.0
SynonymsCHEMBL3040705
BDBM50442566
Inchi KeyKTYNJUNXEIQNGS-UMSFTDKQSA-N
Inchi IDInChI=1S/C44H61N13O8/c45-21-23-48-35(58)17-18-36(59)49-24-25-50-37(60)19-20-38(61)51-26-27-53-44(65)57-42(46)52-22-7-12-34(40(62)54-28-30-13-15-31(16-14-30)29-55-43(47)64)56-41(63)39(32-8-3-1-4-9-32)33-10-5-2-6-11-33/h1-6,8-11,13-16,34,39H,7,12,17-29,45H2,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,54,62)(H,56,63)(H3,47,55,64)(H4,46,52,53,57,65)/t34-/m0/s1
PubChem CID73346549
ChEMBLN/A
IUPHARN/A
BindingDB50442566
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
178163Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
178162Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
178161Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
178160Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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