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Ligand

NameCHEMBL100351
Molecular formulaC30H34N4O8S2
IUPAC name1-[4-[4-[[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]indole-4-carboxylic acid
Molecular weight642.742
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP-0.2
SynonymsSCHEMBL7133991
ANBDOUDERJFOEE-LJAQVGFWSA-N
BDBM50119197
1-[4-(4-{[(2R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-1H-indole-4-carboxylic acid
1-[4-(4-{[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-1H-indole-4-carboxylic acid
[ Show all ]
Inchi KeyANBDOUDERJFOEE-LJAQVGFWSA-N
Inchi IDInChI=1S/C30H34N4O8S2/c1-43(39,40)32-26-17-21(5-10-28(26)35)29(36)19-31-18-20-11-14-33(15-12-20)44(41,42)23-8-6-22(7-9-23)34-16-13-24-25(30(37)38)3-2-4-27(24)34/h2-10,13,16-17,20,29,31-32,35-36H,11-12,14-15,18-19H2,1H3,(H,37,38)/t29-/m0/s1
PubChem CID10233153
ChEMBLCHEMBL100351
IUPHARN/A
BindingDB50119197
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
9406Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
9404Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
9405Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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