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Ligand

NameAC1LA88L
Molecular formulaC37H43N5O4
IUPAC namebenzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]carbamate
Molecular weight621.782
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.7
Synonymsbenzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]carbamate
Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid, benzyl ester
benzyl ethyl(1-{4-[(4r)-4-(1h-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl}piperidin-4-yl)carbamate
(5R)-3-[2-Phenyl-4-[4-[ethyl(benzyloxycarbonyl)amino]piperidino]butyl]-5beta-(1H-indole-3-ylmethyl)-2,4-imidazolidinedione
benzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl]-4-piperidyl]carbamate
[ Show all ]
Inchi KeyBQRVLHNYCPOZSY-VWERDZHISA-N
Inchi IDInChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,34,38H,2,17-23,25-26H2,1H3,(H,39,44)/t29?,34-/m1/s1
PubChem CID483347
ChEMBLCHEMBL317860
IUPHARN/A
BindingDBN/A
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30599C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
30600C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
30603C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
30598C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
30601C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
30602C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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