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Ligand

NameCHEMBL282129
Molecular formulaC42H51N3O5
IUPAC nameN'-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]pentane-1,5-diamine
Molecular weight677.886
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.0
SynonymsBDBM50064025
2-(1H-Indole-3-yl)ethyl 2-O,3-O,4-O-tribenzyl-6-[(5-aminopentyl)amino]-6-deoxy-beta-D-glucopyranoside
N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethyl}-pentane-1,5-diamine
Inchi KeyBOPFKNIUSGFFMZ-QBLDGPCBSA-N
Inchi IDInChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1
PubChem CID10580397
ChEMBLCHEMBL282129
IUPHARN/A
BindingDB50064025
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29013Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
29012Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
29011Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
29009Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
29010Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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