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Ligand

NameCHEMBL3349593
Molecular formulaC38H50N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight730.867
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP1.8
SynonymsBDBM84645
cyclo(Pro-Ala-Trp-Lys-Thr-Phe)
Cyclo[L-Pro-L-Ala-D-Trp-L-Lys-L-Thr-L-Phe-]
L-363,376
Inchi KeyPHCCTJXHGSJHSO-YBJQOMKASA-N
Inchi IDInChI=1S/C38H50N8O7/c1-22-33(48)43-29(20-25-21-40-27-14-7-6-13-26(25)27)35(50)42-28(15-8-9-17-39)34(49)45-32(23(2)47)37(52)44-30(19-24-11-4-3-5-12-24)38(53)46-18-10-16-31(46)36(51)41-22/h3-7,11-14,21-23,28-32,40,47H,8-10,15-20,39H2,1-2H3,(H,41,51)(H,42,50)(H,43,48)(H,44,52)(H,45,49)/t22-,23+,28-,29+,30-,31-,32-/m0/s1
PubChem CID57339805
ChEMBLN/A
IUPHARN/A
BindingDB84645
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

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259591Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556482Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
259590Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428

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