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

NameCHEMBL421362
Molecular formulaC44H54N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight806.965
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.4
SynonymsL-363301
cyclo(Pro-Phe-D-Trp-Lys-Thr-Phe)
cyclo-(Pro-Phe-D-Trp-Lys-Thr-Phe)
BDBM50065453
L-361,301
[ Show all ]
Inchi KeyFHSGULRVYLHXFO-FFNFELIASA-N
Inchi IDInChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
PubChem CID9918828
ChEMBLCHEMBL421362
IUPHARN/A
BindingDB50065453
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
78633Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
78630Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555774Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
78632Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
78636Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
78634Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
78637Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
459936Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
78631Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
78635Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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