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Ligand

NameCHEMBL310681
Molecular formulaC31H41N5O7S2
IUPAC name(4S,7S,13S)-13-[[(2S,3R)-2-amino-3-(4-hydroxyphenyl)butanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight659.817
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-0.3
Synonyms13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
BDBM50000799
Inchi KeyABAHQIMHTWGRPU-IPEGHREBSA-N
Inchi IDInChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23+,24+,25+/m1/s1
PubChem CID44316464
ChEMBLCHEMBL310681
IUPHARN/A
BindingDB50000799
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
696Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
698Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
699Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
697Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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