Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2370559
Molecular formulaC67H85N17O13
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight1336.52
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP1.0
SynonymsN/A
Inchi KeyAFRFVZDBCGZJAP-UJJXWCNTSA-N
Inchi IDInChI=1S/C67H85N17O13/c1-37(2)26-49(59(90)76-48(14-8-24-72-67(69)70)65(96)84-25-9-15-55(84)66(97)83(3)34-56(68)87)77-61(92)51(29-39-16-19-40-10-4-5-11-41(40)27-39)78-60(91)50(28-38-17-20-44(86)21-18-38)79-64(95)54(35-85)82-62(93)52(30-42-32-73-46-13-7-6-12-45(42)46)80-63(94)53(31-43-33-71-36-74-43)81-58(89)47-22-23-57(88)75-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,74)(H,75,88)(H,76,90)(H,77,92)(H,78,91)(H,79,95)(H,80,94)(H,81,89)(H,82,93)(H4,69,70,72)/t47-,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1
PubChem CID25091620
ChEMBLCHEMBL2370559
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
4405Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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