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Ligand

NameCHEMBL3580743
Molecular formulaC37H43F2N7O7
IUPAC name(2S,5S,8S,16R)-16-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-benzyl-5-[(2,4-difluorophenyl)methyl]-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carboxamide
Molecular weight735.79
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP1.6
SynonymsBDBM50092198
Inchi KeyARPMOQQOTWEYPJ-JZVHMONDSA-N
Inchi IDInChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
PubChem CID122178420
ChEMBLCHEMBL3580743
IUPHARN/A
BindingDB50092198
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464398Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
464401Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
464397Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
464400Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
464399Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
464402Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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