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

NameSCHEMBL1579410
Molecular formulaC62H76ClN11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1170.81
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP5.3
SynonymsCHEMBL3350160
BDBM84622
BIM 23057
Inchi KeyUTXUNQJCIJXTTP-WMJDRJGJSA-N
Inchi IDInChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
PubChem CID10285299
ChEMBLN/A
IUPHARN/A
BindingDB84622
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
345532Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556892Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556893Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
345534Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
345531Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
345535Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
345533Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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