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Ligand

NameCHEMBL3401468
Molecular formulaC55H80N14O11
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-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]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide
Molecular weight1113.33
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP1.0
SynonymsD-Phe-Gln-Trp-Ala-Val-Gly-His-Sta-Leu-NH(2)
D-Phe-Gln-Trp-Ala-Val-Gly-His-Sta-Leu-NH2
H-d-Phe-Gln-Trp-Ala-Val-Gly-His-Sta-Leu-NH2
JMV-594
Inchi KeyKOHYJMBRYCXNMR-ICRHTFBISA-N
Inchi IDInChI=1S/C55H80N14O11/c1-29(2)19-40(44(70)24-46(72)64-41(49(58)74)20-30(3)4)67-54(79)43(23-35-26-59-28-62-35)65-47(73)27-61-55(80)48(31(5)6)69-50(75)32(7)63-53(78)42(22-34-25-60-38-16-12-11-15-36(34)38)68-52(77)39(17-18-45(57)71)66-51(76)37(56)21-33-13-9-8-10-14-33/h8-16,25-26,28-32,37,39-44,48,60,70H,17-24,27,56H2,1-7H3,(H2,57,71)(H2,58,74)(H,59,62)(H,61,80)(H,63,78)(H,64,72)(H,65,73)(H,66,76)(H,67,79)(H,68,77)(H,69,75)/t32-,37+,39-,40-,41-,42-,43-,44-,48-/m0/s1
PubChem CID10418715
ChEMBLCHEMBL3401468
IUPHARN/A
BindingDBN/A
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
448521Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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