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Ligand

NameCHEMBL1790461
Molecular formulaC38H62N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(3,3-dimethylbutanoylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight730.948
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP1.5
SynonymsBDBM50366310
Inchi KeyQSGQYEQTFPTNNN-SORYMUJRSA-N
Inchi IDInChI=1S/C38H62N6O8/c1-8-24(4)32(35(49)42-29(37(51)52)20-23(2)3)43-33(47)28(21-25-14-16-26(45)17-15-25)41-34(48)30-13-11-19-44(30)36(50)27(12-9-10-18-39)40-31(46)22-38(5,6)7/h14-17,23-24,27-30,32,45H,8-13,18-22,39H2,1-7H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)/t24-,27+,28+,29+,30+,32+/m1/s1
PubChem CID56672658
ChEMBLCHEMBL1790461
IUPHARN/A
BindingDB50366310
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
285645Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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