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Ligand

NameCHEMBL2028844
Molecular formulaC35H51N9O7
IUPAC name2-[3-[(1R,11S,14S,22S,25S)-25-(hydroxymethyl)-22-methyl-2,12,15,20,23,26-hexaoxo-3,13,16,21,24,27-hexazapentacyclo[25.8.0.03,11.04,9.029,34]pentatriaconta-29,31,33-trien-14-yl]propyl]guanidine
Molecular weight709.849
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-0.4
SynonymsBDBM50407799
Inchi KeySYAGZQGLKGUODK-KCFAWSOHSA-N
Inchi IDInChI=1S/C35H51N9O7/c1-20-30(47)42-25(19-45)33(50)43-18-23-10-3-2-8-21(23)16-28(43)34(51)44-26-12-5-4-9-22(26)17-27(44)32(49)41-24(11-6-15-39-35(36)37)31(48)38-14-7-13-29(46)40-20/h2-3,8,10,20,22,24-28,45H,4-7,9,11-19H2,1H3,(H,38,48)(H,40,46)(H,41,49)(H,42,47)(H4,36,37,39)/t20-,22?,24-,25-,26?,27-,28+/m0/s1
PubChem CID70681476
ChEMBLCHEMBL2028844
IUPHARN/A
BindingDB50407799
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
326011B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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