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Ligand

NameCHEMBL1834415
Molecular formulaC29H40ClNO4
IUPAC name(1S,2S,6R,14R,15R,16R)-9-chloro-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
Molecular weight502.092
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50354576
Inchi KeyARMVYVANYSKLSH-LDFHUFRKSA-N
Inchi IDInChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
PubChem CID56661555
ChEMBLCHEMBL1834415
IUPHARN/A
BindingDB50354576
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12591Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
12594Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
12592Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
12593Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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