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Ligand

NameCHEMBL159793
Molecular formulaC32H43N5O7S2
IUPAC name(4R,7R,13R)-13-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight673.844
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP0.1
SynonymsBDBM50000335
13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
Inchi KeyAPQOTCXUXCKVTP-BKJQLSFMSA-N
Inchi IDInChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1
PubChem CID44374513
ChEMBLCHEMBL159793
IUPHARN/A
BindingDB50000335
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11251Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
11252Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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