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Ligand

NameCHEMBL413488
Molecular formulaC59H70N14O8
IUPAC nameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]naphthalene-1-carboxamide
Molecular weight1103.3
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP4.4
SynonymsBDBM50040307
1-naphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2
Inchi KeyHUQXEPCMHOWNFL-GQHWFMIJSA-N
Inchi IDInChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1
PubChem CID10034153
ChEMBLCHEMBL413488
IUPHARN/A
BindingDB50040307
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
124540Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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