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Ligand

NameCHEMBL3038197
Molecular formulaC23H26N2O3S
IUPAC name(1R,2S,6R,14R,15R)-19-[(1S)-1-isothiocyanatoethyl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Molecular weight410.532
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50013763
(S)-19-(1-isothiocyanatoethyl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,16-tetraen-11-ol
Inchi KeyWTVMVUJOBOGEOT-MOEIEMDKSA-N
Inchi IDInChI=1S/C23H26N2O3S/c1-13(24-12-29)15-11-21-6-7-23(15,27-3)20-22(21)8-9-25(2)17(21)10-14-4-5-16(26)19(28-20)18(14)22/h4-7,13,15,17,20,26H,8-11H2,1-3H3/t13-,15?,17+,20+,21+,22-,23+/m0/s1
PubChem CID73346685
ChEMBLCHEMBL3038197
IUPHARN/A
BindingDB50013763
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
382277Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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