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Ligand

NameBIBP3226
Molecular formulaC27H31N5O3
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight473.577
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.5
SynonymsN-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-?-phenylbenzeneacetamide
(2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
BDBM50060728
D0Y8GV
SCHEMBL650331
[ Show all ]
Inchi KeyKUWBXRGRMQZCSS-HSZRJFAPSA-N
Inchi IDInChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
PubChem CID5311023
ChEMBLCHEMBL332347
IUPHAR1485
BindingDB50060728
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
178861Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
178862Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522
178858Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
554181Neuropeptide Y receptor type 1P21555Npy1rRattus norvegicus (Rat)382
178864Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
178860Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
178863Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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