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Ligand

NameCHEMBL81919
Molecular formulaC37H51N7O7S
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight737.917
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.2
SynonymspGlu6-Phe-NMePhe-Gly-Leu-Met-NH2
BDBM50007962
Inchi KeyYZYVIMIKWFNJRA-IIZANFQQSA-N
Inchi IDInChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
PubChem CID44318050
ChEMBLCHEMBL81919
IUPHARN/A
BindingDB50007962
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
423420Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
423419Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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