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Ligand

Name2-Cl-IB-Meca
Molecular formulaC18H18ClIN6O4
IUPAC name(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight544.734
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.9
SynonymsMLS002153535
SMR001230862
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide
2-Chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide
AB0047892
[ Show all ]
Inchi KeyIPSYPUKKXMNCNQ-PFHKOEEOSA-N
Inchi IDInChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
PubChem CID3035850
ChEMBLCHEMBL431733
IUPHAR457
BindingDB21221
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 24
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
5395185-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5395175-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5395235-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5395145-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5395225-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5395205-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5395165-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5395135-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
5395155-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5395195-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5395215-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
138941Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
138942Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
138944Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
138948Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
138949Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
138938Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
138940Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
138943Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
138945Adenosine receptor A2bQ60614Adora2bMus musculus (Mouse)332

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