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Ligand

NameYGGFLRRXR
Molecular formulaC53H86N18O11
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1151.39
Hydrogen bond acceptor15
Hydrogen bond donor17
XlogP-4.8
Synonyms95673-38-4
BDBM224033
Inchi KeyJFYHXVZXGWKQDV-ZNKHOMLWSA-N
Inchi IDInChI=1S/C53H86N18O11/c1-6-30(4)42(49(80)69-38(50(81)82)17-12-24-63-53(59)60)71-46(77)37(16-11-23-62-52(57)58)67-45(76)36(15-10-22-61-51(55)56)68-47(78)39(25-29(2)3)70-48(79)40(27-32-13-8-7-9-14-32)66-41(73)28-64-43(74)31(5)65-44(75)35(54)26-33-18-20-34(72)21-19-33/h7-9,13-14,18-21,29-31,35-40,42,72H,6,10-12,15-17,22-28,54H2,1-5H3,(H,64,74)(H,65,75)(H,66,73)(H,67,76)(H,68,78)(H,69,80)(H,70,79)(H,71,77)(H,81,82)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t30-,31+,35-,36-,37-,38-,39-,40-,42-/m0/s1
PubChem CID126962028
ChEMBLN/A
IUPHARN/A
BindingDB224033
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525828Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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