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Ligand

NameCHEMBL2369364
Molecular formulaC38H55N11O6S
IUPAC name(2S)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight793.989
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP-2.1
SynonymsBDBM50407811
Inchi KeyIYLGSJULQPVTHE-MGZZYCNSSA-N
Inchi IDInChI=1S/C38H55N11O6S/c39-26(12-5-15-44-37(40)41)32(50)47-28(20-25-11-7-17-56-25)34(52)48-21-24-10-2-1-8-22(24)18-31(48)35(53)49-29-14-4-3-9-23(29)19-30(49)33(51)46-27(36(54)55)13-6-16-45-38(42)43/h1-2,7-8,10-11,17,23,26-31H,3-6,9,12-16,18-21,39H2,(H,46,51)(H,47,50)(H,54,55)(H4,40,41,44)(H4,42,43,45)/t23?,26-,27-,28-,29?,30-,31-/m0/s1
PubChem CID73345363
ChEMBLCHEMBL2369364
IUPHARN/A
BindingDB50407811
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
144786B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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