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Ligand

NameCHEMBL3315278
Molecular formulaC45H68N14O8
IUPAC name(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-4-methyl-2-(3-phenylpropanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight933.129
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-1.2
SynonymsBDBM50049423
Inchi KeySIQFAEIXTGZXDF-LBBUGJAGSA-N
Inchi IDInChI=1S/C45H68N14O8/c1-27(2)24-33(54-37(61)20-19-28-12-5-3-6-13-28)40(64)58-34(25-29-14-7-4-8-15-29)41(65)56-31(17-10-22-53-45(50)51)43(67)59-23-11-18-35(59)42(66)55-30(16-9-21-52-44(48)49)39(63)57-32(38(47)62)26-36(46)60/h3-8,12-15,27,30-35H,9-11,16-26H2,1-2H3,(H2,46,60)(H2,47,62)(H,54,61)(H,55,66)(H,56,65)(H,57,63)(H,58,64)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID118708073
ChEMBLCHEMBL3315278
IUPHARN/A
BindingDB50049423
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
454218Neuromedin-U receptor 1Q9HB89NMUR1Homo sapiens (Human)426
454217Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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