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Ligand

NameCHEMBL1793839
Molecular formulaC41H62N12O8
IUPAC name(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular weight851.023
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.2
SynonymsBDBM50369070
Inchi KeyXUNXSSAWBGADBB-AVUTVPCASA-N
Inchi IDInChI=1S/C41H62N12O8/c1-3-24(2)33(37(58)51-31(39(60)61)23-25-10-5-4-6-11-25)52-35(56)30(22-26-15-17-27(54)18-16-26)50-36(57)32-14-9-21-53(32)38(59)29(13-8-20-48-41(45)46)49-34(55)28(42)12-7-19-47-40(43)44/h4-6,10-11,15-18,24,28-33,54H,3,7-9,12-14,19-23,42H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,43,44,47)(H4,45,46,48)/t24-,28+,29+,30+,31+,32+,33-/m1/s1
PubChem CID56668240
ChEMBLCHEMBL1793839
IUPHARN/A
BindingDB50369070
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
401277Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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