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

NameCHEMBL296441
Molecular formulaC41H46N6O5
IUPAC nameN-benzyl-2-[[2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
Molecular weight702.856
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50045032
N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-3-(1-methyl-1H-indol-3-yl)-propionylamino]-N-methyl-3-phenyl-propionamide
Inchi KeyOZQNRPOHMYPZKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
PubChem CID23277693
ChEMBLN/A
IUPHARN/A
BindingDB50045032
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
254186Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
254182Substance-K receptorP21452TACR2Homo sapiens (Human)398
520702Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
565213Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
254185Substance-P receptorP25103TACR1Homo sapiens (Human)407
254187Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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