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

NameCHEMBL3349599
Molecular formulaC56H62N8O8
IUPAC name(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3,15-dibenzyl-20-hydroxy-12-(1H-indol-3-ylmethyl)-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight975.16
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP5.5
SynonymsN/A
Inchi KeyBMFKYASADOKZMA-FPHBMCSYSA-N
Inchi IDInChI=1S/C56H62N8O8/c57-27-13-12-22-45-51(66)60-46(29-38-23-25-42(26-24-38)72-35-39-18-8-3-9-19-39)53(68)63-49(30-37-16-6-2-7-17-37)56(71)64-34-41(65)32-50(64)55(70)62-47(28-36-14-4-1-5-15-36)52(67)61-48(54(69)59-45)31-40-33-58-44-21-11-10-20-43(40)44/h1-11,14-21,23-26,33,41,45-50,58,65H,12-13,22,27-32,34-35,57H2,(H,59,69)(H,60,66)(H,61,67)(H,62,70)(H,63,68)/t41-,45+,46+,47+,48-,49+,50+/m1/s1
PubChem CID11136828
ChEMBLCHEMBL3349599
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442729Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
442732Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
442730Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
442733Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
442731Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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