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Ligand

NameCHEMBL1793833
Molecular formulaC37H58N6O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]phenyl]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight698.906
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.2
SynonymsBDBM50366371
Inchi KeyVTCHWKPDSGSTEU-DXUTUMGHSA-N
Inchi IDInChI=1S/C37H58N6O7/c1-8-25(4)32(33(45)41-31(34(46)47)20-24(2)3)42-35(48)43(23-26-15-17-30(44)18-16-26)29-14-11-13-27(21-29)39-22-28(12-9-10-19-38)40-36(49)50-37(5,6)7/h11,13-18,21,24-25,28,31-32,39,44H,8-10,12,19-20,22-23,38H2,1-7H3,(H,40,49)(H,41,45)(H,42,48)(H,46,47)/t25-,28-,31-,32-/m0/s1
PubChem CID56675174
ChEMBLCHEMBL1793833
IUPHARN/A
BindingDB50366371
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
363632Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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