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

NameCHEMBL268108
Molecular formulaC60H91ClN18O14
IUPAC name(2R,9R)-14-acetamido-N-[(2S)-1-[[(2S)-1-[[1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(4-chlorophenyl)methyl]-3,11,15-trioxo-1,4,10-triazacyclopentadecane-9-carboxamide
Molecular weight1323.95
Hydrogen bond acceptor16
Hydrogen bond donor17
XlogP-2.0
Synonymscyclo(1-3)Ac-D-Glu-D-Cpa-D-Dbu-Ser-Tyr-D-Arg-Leu-Arg-Pro-D-Ala-NH2
BDBM50085747
Inchi KeyBGNYNRYIUQDATD-NSSHNWTDSA-N
Inchi IDInChI=1S/C60H91ClN18O14/c1-32(2)28-43(54(89)74-42(12-8-26-69-60(65)66)58(93)79-27-9-13-47(79)57(92)70-33(3)49(62)84)75-52(87)40(11-7-25-68-59(63)64)73-55(90)45(30-36-16-20-38(82)21-17-36)77-56(91)46(31-80)78-51(86)39-10-5-6-24-67-50(85)44(29-35-14-18-37(61)19-15-35)76-53(88)41(71-34(4)81)22-23-48(83)72-39/h14-21,32-33,39-47,80,82H,5-13,22-31H2,1-4H3,(H2,62,84)(H,67,85)(H,70,92)(H,71,81)(H,72,83)(H,73,90)(H,74,89)(H,75,87)(H,76,88)(H,77,91)(H,78,86)(H4,63,64,68)(H4,65,66,69)/t33?,39-,40?,41?,42+,43-,44-,45+,46+,47-/m1/s1
PubChem CID44379704
ChEMBLN/A
IUPHARN/A
BindingDB50085747
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
23203Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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