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Ligand

NameCHEMBL196932
Molecular formulaC26H21BrN2O4
IUPAC name1-[8-[[(2S,4S,6S)-17-bromo-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]azetidin-2-one
Molecular weight505.368
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50167758
1-[8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-azetidin-2-one
Inchi KeyDAPJKUQVQBYJJK-IAKTWSEQSA-N
Inchi IDInChI=1S/C26H21BrN2O4/c27-15-5-7-23-20(11-15)26-19(18-3-1-2-4-22(18)32-23)13-17(31-26)14-29-21-12-16(6-8-24(21)33-29)28-10-9-25(28)30/h1-8,11-12,17,19,26H,9-10,13-14H2/t17-,19-,26-/m0/s1
PubChem CID44402627
ChEMBLCHEMBL196932
IUPHARN/A
BindingDB50167758
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
552195-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
552215-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
55220Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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