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Ligand

NameSCHEMBL16343432
Molecular formulaC29H28N2O3
IUPAC name(2S)-1-(2,2-diphenylacetyl)-4-(4-phenylbut-3-ynyl)piperazine-2-carboxylic acid
Molecular weight452.554
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.5
SynonymsUS9708275, Compound 26
BDBM261623
(S)-1-(2,2-diphenylacetyl)-4-(4-phenylbut-3-yn-1-yl)piperazine-2-carboxylic acid
Inchi KeyAARQPQBYTJMGIR-SANMLTNESA-N
Inchi IDInChI=1S/C29H28N2O3/c32-28(27(24-15-6-2-7-16-24)25-17-8-3-9-18-25)31-21-20-30(22-26(31)29(33)34)19-11-10-14-23-12-4-1-5-13-23/h1-9,12-13,15-18,26-27H,11,19-22H2,(H,33,34)/t26-/m0/s1
PubChem CID117778132
ChEMBLN/A
IUPHARN/A
BindingDB261623
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
557319Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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