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Ligand

NameCHEMBL93859
Molecular formulaC34H45N7O5
IUPAC nametert-butyl (2S)-6-amino-2-[[(2R)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]propanoyl]amino]hexanoate
Molecular weight631.778
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.2
SynonymsBDBM50105469
SCHEMBL13311709
(S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carbonyl]-amino}-propionylamino)-hexanoic acid tert-butyl ester
Inchi KeyADYQFEKYBQAYOX-WUFINQPMSA-N
Inchi IDInChI=1S/C34H45N7O5/c1-34(2,3)46-31(43)27(13-8-9-17-35)37-30(42)28(20-22-21-36-25-11-5-4-10-24(22)25)39-32(44)40-18-15-23(16-19-40)41-29-14-7-6-12-26(29)38-33(41)45/h4-7,10-12,14,21,23,27-28,36H,8-9,13,15-20,35H2,1-3H3,(H,37,42)(H,38,45)(H,39,44)/t27-,28+/m0/s1
PubChem CID44325477
ChEMBLCHEMBL93859
IUPHARN/A
BindingDB50105469
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3232Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369

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