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Ligand

NameDPhe6-Bn(6-13)hexylamide
Molecular formulaC53H77N13O9
IUPAC name(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-(hexylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight1040.28
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP3.4
SynonymsBDBM85482
Inchi KeyQSJJMKMLUAPFCT-QPHOFLGJSA-N
Inchi IDInChI=1S/C53H77N13O9/c1-7-8-9-15-22-57-49(71)41(23-31(2)3)64-52(74)43(26-36-28-56-30-60-36)62-45(68)29-59-53(75)46(32(4)5)66-47(69)33(6)61-51(73)42(25-35-27-58-39-19-14-13-18-37(35)39)65-50(72)40(20-21-44(55)67)63-48(70)38(54)24-34-16-11-10-12-17-34/h10-14,16-19,27-28,30-33,38,40-43,46,58H,7-9,15,20-26,29,54H2,1-6H3,(H2,55,67)(H,56,60)(H,57,71)(H,59,75)(H,61,73)(H,62,68)(H,63,70)(H,64,74)(H,65,72)(H,66,69)/t33-,38+,40-,41-,42-,43-,46-/m0/s1
PubChem CID57340139
ChEMBLN/A
IUPHARN/A
BindingDB85482
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
285717Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
285719Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390

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