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Ligand

NameE2-NB
Molecular formulaC32H39NO4
IUPAC nametert-butyl N-[[4-[2-[(13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]phenyl]methyl]carbamate
Molecular weight501.667
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.9
SynonymsBDBM36493
Inchi KeyNWYBHLVVGGFXBM-ZQECHYLSSA-N
Inchi IDInChI=1S/C32H39NO4/c1-30(2,3)37-29(35)33-20-22-7-5-21(6-8-22)13-17-32(36)18-15-28-27-11-9-23-19-24(34)10-12-25(23)26(27)14-16-31(28,32)4/h5-8,10,12,19,26-28,34,36H,9,11,14-16,18,20H2,1-4H3,(H,33,35)/t26?,27?,28?,31-,32-/m0/s1
PubChem CID50997761
ChEMBLN/A
IUPHARN/A
BindingDB36493
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
461242G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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