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Ligand

NameCHEMBL3582484
Molecular formulaC37H44FN7O7
IUPAC name(2S,5S,8S,16R)-16-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-2-[(4-fluorophenyl)methyl]-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carboxamide
Molecular weight717.799
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP1.5
SynonymsBDBM50096788
Inchi KeyATYCQTCKIKMDME-JZVHMONDSA-N
Inchi IDInChI=1S/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/m0/s1
PubChem CID122179557
ChEMBLCHEMBL3582484
IUPHARN/A
BindingDB50096788
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
464634Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
464637Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
464632Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
464633Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
464635Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
464636Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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