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Ligand

NameCHEMBL1790472
Molecular formulaC37H60N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(2,2-dimethylpropanoylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight716.921
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP-0.1
SynonymsBDBM50366308
Inchi KeyCTZUKPUCJVAYQU-XMGYLCLZSA-N
Inchi IDInChI=1S/C37H60N6O8/c1-8-23(4)30(33(47)40-28(35(49)50)20-22(2)3)42-31(45)27(21-24-14-16-25(44)17-15-24)39-32(46)29-13-11-19-43(29)34(48)26(12-9-10-18-38)41-36(51)37(5,6)7/h14-17,22-23,26-30,44H,8-13,18-21,38H2,1-7H3,(H,39,46)(H,40,47)(H,41,51)(H,42,45)(H,49,50)/t23-,26+,27+,28+,29+,30+/m1/s1
PubChem CID56658940
ChEMBLCHEMBL1790472
IUPHARN/A
BindingDB50366308
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
50568Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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