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

NameCHEMBL3272557
Molecular formulaC50H80N14O13
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight1085.28
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-1.2
SynonymsN/A
Inchi KeyGVYOHYWJLQXRSN-UJVDHRFUSA-N
Inchi IDInChI=1S/C50H80N14O13/c1-25(2)20-33(44(72)58-32(10-8-18-54-50(52)53)49(77)64-19-9-11-37(64)47(75)55-23-38(51)67)59-41(69)28(7)56-43(71)35(22-29-12-14-30(66)15-13-29)60-46(74)36(24-65)62-45(73)34(21-26(3)4)61-48(76)40(27(5)6)63-42(70)31-16-17-39(68)57-31/h12-15,25-28,31-37,40,65-66H,8-11,16-24H2,1-7H3,(H2,51,67)(H,55,75)(H,56,71)(H,57,68)(H,58,72)(H,59,69)(H,60,74)(H,61,76)(H,62,73)(H,63,70)(H4,52,53,54)/t28-,31+,32+,33+,34+,35+,36+,37+,40+/m1/s1
PubChem CID90677606
ChEMBLCHEMBL3272557
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106677Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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