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Ligand

NameCHEMBL315603
Molecular formulaC32H50N8O10
IUPAC name(3S)-3-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight706.798
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-3.1
SynonymsBDBM50059371
(S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-2-methyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid
Inchi KeyALLCKKBLFVTNDT-CUUBPCRASA-N
Inchi IDInChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
PubChem CID10818539
ChEMBLCHEMBL315603
IUPHARN/A
BindingDB50059371
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8358Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
8359Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
8360Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
8361Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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