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Ligand

NameBivalent derivative, 12c
Molecular formulaC23H31N7O7
IUPAC nameN-[5-[2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight517.543
Hydrogen bond acceptor12
Hydrogen bond donor8
XlogP-0.4
SynonymsN-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide
BDBM25396
CHEMBL462273
Inchi KeyBUDKUWZRNIESPK-OPIJFSDVSA-N
Inchi IDInChI=1S/C23H31N7O7/c31-9-17-19(35)20(36)23(37-17)30-11-28-18-21(26-10-27-22(18)30)25-6-2-1-5-24-8-16(34)13-3-4-15(33)14(7-13)29-12-32/h3-4,7,10-12,16-17,19-20,23-24,31,33-36H,1-2,5-6,8-9H2,(H,29,32)(H,25,26,27)/t16?,17-,19-,20-,23-/m1/s1
PubChem CID25023950
ChEMBLCHEMBL462273
IUPHARN/A
BindingDB25396
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32938Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
32939Beta-2 adrenergic receptorP04274ADRB2Mesocricetus auratus (Golden hamster)418
459507Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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