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Ligand

NameCHEMBL3142378
Molecular formulaC63H77N15O10
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(3S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-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 weight1204.4
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP3.5
SynonymsN/A
Inchi KeyVGTQKPLNQPPYHJ-WSPSZVDHSA-N
Inchi IDInChI=1S/C63H77N15O10/c1-35(2)26-47(55(66)81)73-61(86)48(27-36(3)4)74-62(87)50(30-41-32-67-34-69-41)71-53(80)33-78-51-23-15-13-21-43(51)54(39-18-10-7-11-19-39)76-56(63(78)88)77-57(82)37(5)70-60(85)49(29-40-31-68-45-22-14-12-20-42(40)45)75-59(84)46(24-25-52(65)79)72-58(83)44(64)28-38-16-8-6-9-17-38/h6-23,31-32,34-37,44,46-50,56,68H,24-30,33,64H2,1-5H3,(H2,65,79)(H2,66,81)(H,67,69)(H,70,85)(H,71,80)(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,77,82)/t37-,44+,46-,47-,48-,49-,50-,56+/m0/s1
PubChem CID90662937
ChEMBLCHEMBL3142378
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
354729Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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