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Ligand

NameBDBM86511
Molecular formulaC63H82N17O11+
IUPAC nameamino-[(1R)-1-[[(3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-anilino-4-oxobutanoyl]amino]-2-(1H-imidazol-5-yl)ethyl]-[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]iminoazanium
Molecular weight1253.46
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP3.2
Synonyms[D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,Nle14]Bn(6-14)
Inchi KeyIRTDXBKXWQCWQF-MVFWZTRLSA-O
Inchi IDInChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1
PubChem CID57340630
ChEMBLN/A
IUPHARN/A
BindingDB86511
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
140340Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
460487Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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