Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameMK-4256
Molecular formulaC27H23FN8O
IUPAC name3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
Molecular weight494.534
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.1
SynonymsCHEMBL2204935
GTPL10114
BDBM50400517
MK4256
CS-7919
[ Show all ]
Inchi KeyNTIFDLOQPKMIJK-AJTFRIOCSA-N
Inchi IDInChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
PubChem CID56927659
ChEMBLCHEMBL2204935
IUPHARN/A
BindingDB50400517
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
231522Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
231527Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
231524Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
231526Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
231525Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
231523Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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