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Ligand

NameCHEMBL496452
Molecular formulaC29H46O5
IUPAC name[(1R,2S,5S,7R,8S,11R,14R,15R,17R)-5,7-dihydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-9-en-8-yl] acetate
Molecular weight474.682
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
Synonyms19-Deoxydysideasterol A
BDBM50269198
9alpha,11alpha-epoxycholest-7-ene-3beta,5alpha,6alpha-triol 6-acetate
Inchi KeyCEJPYZZCYLZKRP-ANNVCDRBSA-N
Inchi IDInChI=1S/C29H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-23-14-24(33-19(4)30)28(32)15-20(31)12-13-27(28,6)29(23)25(34-29)16-26(21,22)5/h14,17-18,20-22,24-25,31-32H,7-13,15-16H2,1-6H3/t18-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
PubChem CID11798740
ChEMBLCHEMBL496452
IUPHARN/A
BindingDB50269198
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39950C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350

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