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

NameCHEMBL2028844
Molecular formulaC35H51N9O7
IUPAC name2-[3-[(1R,11S,14S,22S,25S)-25-(hydroxymethyl)-22-methyl-2,12,15,20,23,26-hexaoxo-3,13,16,21,24,27-hexazapentacyclo[25.8.0.03,11.04,9.029,34]pentatriaconta-29,31,33-trien-14-yl]propyl]guanidine
Molecular weight709.849
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-0.4
SynonymsBDBM50407799
Inchi KeySYAGZQGLKGUODK-KCFAWSOHSA-N
Inchi IDInChI=1S/C35H51N9O7/c1-20-30(47)42-25(19-45)33(50)43-18-23-10-3-2-8-21(23)16-28(43)34(51)44-26-12-5-4-9-22(26)17-27(44)32(49)41-24(11-6-15-39-35(36)37)31(48)38-14-7-13-29(46)40-20/h2-3,8,10,20,22,24-28,45H,4-7,9,11-19H2,1H3,(H,38,48)(H,40,46)(H,41,49)(H,42,47)(H4,36,37,39)/t20-,22?,24-,25-,26?,27-,28+/m0/s1
PubChem CID70681476
ChEMBLCHEMBL2028844
IUPHARN/A
BindingDB50407799
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
326011B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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