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

NameCHEMBL237968
Molecular formulaC38H64IN11O8
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-3-methylpentanamide
Molecular weight929.903
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP0.7
SynonymsN/A
Inchi KeyIEAAVOQUQXAYQJ-LCEIJQIJSA-N
Inchi IDInChI=1S/C38H64IN11O8/c1-7-21(5)30(32(41)53)49-36(57)28(17-23-11-13-24(39)14-12-23)48-34(55)26(10-9-15-44-38(42)43)46-29(52)18-45-37(58)31(22(6)8-2)50-35(56)27(16-20(3)4)47-33(54)25(40)19-51/h11-14,20-22,25-28,30-31,51H,7-10,15-19,40H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,55)(H,49,57)(H,50,56)(H4,42,43,44)/t21-,22-,25-,26-,27-,28-,30-,31-/m0/s1
PubChem CID44433874
ChEMBLCHEMBL237968
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
539294Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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