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Ligand

NameCID 73357159
Molecular formulaC88H105F3N18O14
IUPAC name1-N-[4-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]butyl]-4-N-[2-[2-[[4-[4-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]butylcarbamoyl]benzoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]benzene-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
Molecular weight1695.92
Hydrogen bond acceptor19
Hydrogen bond donor18
XlogPNone
SynonymsN/A
Inchi KeyFRMILORZHWVZRG-SFDIVQKFSA-N
Inchi IDInChI=1S/C86H104N18O12.C2HF3O2/c87-45-54-104(55-52-92-77(109)67-37-33-65(34-38-67)75(107)90-46-13-15-48-96-85(115)102-83(88)94-50-17-27-71(79(111)98-57-59-29-41-69(105)42-30-59)100-81(113)73(61-19-5-1-6-20-61)62-21-7-2-8-22-62)56-53-93-78(110)68-39-35-66(36-40-68)76(108)91-47-14-16-49-97-86(116)103-84(89)95-51-18-28-72(80(112)99-58-60-31-43-70(106)44-32-60)101-82(114)74(63-23-9-3-10-24-63)64-25-11-4-12-26-64;3-2(4,5)1(6)7/h1-12,19-26,29-44,71-74,105-106H,13-18,27-28,45-58,87H2,(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H4,88,94,96,102,115)(H4,89,95,97,103,116);(H,6,7)/t71-,72-;/m1./s1
PubChem CID73357159
ChEMBLCHEMBL2440913
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85537Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
85536Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
85535Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
85538Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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