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

NameCHEMBL2369788
Molecular formulaC53H70N12O9
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[3-(1H-indol-3-yl)propanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1019.22
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP2.7
SynonymsBDBM50227959
Inchi KeyOLNJHAIPLFPWSY-CPPKSIGKSA-N
Inchi IDInChI=1S/C53H70N12O9/c1-4-56-51(73)45-16-10-24-65(45)52(74)40(15-9-23-57-53(54)55)61-47(69)41(25-31(2)3)62-49(71)43(27-34-29-59-39-14-8-6-12-37(34)39)64-48(70)42(26-32-17-20-35(67)21-18-32)63-50(72)44(30-66)60-46(68)22-19-33-28-58-38-13-7-5-11-36(33)38/h5-8,11-14,17-18,20-21,28-29,31,40-45,58-59,66-67H,4,9-10,15-16,19,22-27,30H2,1-3H3,(H,56,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,54,55,57)/t40-,41-,42-,43+,44-,45-/m0/s1
PubChem CID14557584
ChEMBLCHEMBL2369788
IUPHARN/A
BindingDBN/A
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
244464Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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