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Ligand

NameCHEMBL501023
Molecular formulaC32H34N4O5
IUPAC namebenzyl 2-[(4S)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]acetate
Molecular weight554.647
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.7
Synonymsbenzyl 2-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-3-oxo-4,5-dihydroazepino[3,4-b]indol-2(1H,3H,10H)-yl)acetate
BDBM50266059
Inchi KeyBGOKTINXYLZNSY-XCZPVHLTSA-N
Inchi IDInChI=1S/C32H34N4O5/c1-19-12-22(37)13-20(2)24(19)14-26(33)31(39)35-28-15-25-23-10-6-7-11-27(23)34-29(25)16-36(32(28)40)17-30(38)41-18-21-8-4-3-5-9-21/h3-13,26,28,34,37H,14-18,33H2,1-2H3,(H,35,39)/t26-,28-/m0/s1
PubChem CID44581436
ChEMBLCHEMBL501023
IUPHARN/A
BindingDB50266059
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23221Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
23222Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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