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Ligand

NameRF 9
Molecular formulaC26H38N6O3
IUPAC nameN-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]adamantane-1-carboxamide
Molecular weight482.629
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP1.4
SynonymsNCGC00485847-01
D08UWO
SCHEMBL18041259
Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide
BDBM50336912
[ Show all ]
Inchi KeyUMKHUSRDQFQHAK-RNJMTYCLSA-N
Inchi IDInChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
PubChem CID53320361
ChEMBLCHEMBL1672380
IUPHAR1486
BindingDB50336912
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
340270KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398
455205Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323
455206Mas-related G-protein coupled receptor member X1Q8CIP3Mrgprx1Mus musculus (Mouse)322
455207Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
340269Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
340271Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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