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

NameBDBM84628
Molecular formulaC56H66N10O8S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1071.33
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP4.6
SynonymsN/A
Inchi KeyHJZLQFFUZPMRPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C56H66N10O8S2/c1-34(67)49-56(74)65-47(51(69)60-30-38-21-14-20-37-19-8-9-22-40(37)38)32-75-76-33-48(64-50(68)42(58)27-35-15-4-2-5-16-35)55(73)62-45(28-36-17-6-3-7-18-36)53(71)63-46(29-39-31-59-43-24-11-10-23-41(39)43)54(72)61-44(52(70)66-49)25-12-13-26-57/h2-11,14-24,31,34,42,44-49,59,67H,12-13,25-30,32-33,57-58H2,1H3,(H,60,69)(H,61,72)(H,62,73)(H,63,71)(H,64,68)(H,65,74)(H,66,70)
PubChem CID57339793
ChEMBLN/A
IUPHARN/A
BindingDB84628
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
116989Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555926Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555927Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
116985Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
116986Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
116988Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
116987Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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