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

NameCHEMBL369482
Molecular formulaC46H56N12O6
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-imidazol-1-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular weight873.032
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP1.5
SynonymsN/A
Inchi KeyVHYVGEMUOBSMJT-QPAOXRNZSA-N
Inchi IDInChI=1S/C46H56N12O6/c1-28(53-44(62)39(22-30-24-51-35-15-7-5-13-32(30)35)56-43(61)34(48)26-58-20-19-50-27-58)42(60)55-40(23-31-25-52-36-16-8-6-14-33(31)36)46(64)57-38(21-29-11-3-2-4-12-29)45(63)54-37(41(49)59)17-9-10-18-47/h2-8,11-16,19-20,24-25,27-28,34,37-40,51-52H,9-10,17-18,21-23,26,47-48H2,1H3,(H2,49,59)(H,53,62)(H,54,63)(H,55,60)(H,56,61)(H,57,64)/t28-,34-,37-,38+,39+,40+/m0/s1
PubChem CID44387246
ChEMBLCHEMBL369482
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
355673Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364

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