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Ligand

NameCHEMBL161288
Molecular formulaC43H51N7O10
IUPAC nameN-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(2S,5R,8R,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]acetamide
Molecular weight825.92
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP0.5
SynonymsBDBM50404015
Inchi KeyAZBUIEHDNPTGAM-MQRAHMKUSA-N
Inchi IDInChI=1S/C43H51N7O10/c1-24(52)46-37-39(56)38(55)34(23-51)60-43(37)50-36(54)20-27-19-35(53)48-33(18-28-21-44-31-15-9-8-14-30(28)31)42(59)49-32(17-26-12-6-3-7-13-26)41(58)47-29(22-45-40(27)57)16-25-10-4-2-5-11-25/h2-15,21,27,29,32-34,37-39,43-44,51,55-56H,16-20,22-23H2,1H3,(H,45,57)(H,46,52)(H,47,58)(H,48,53)(H,49,59)(H,50,54)/t27-,29+,32+,33-,34?,37?,38?,39?,43?/m0/s1
PubChem CID44374504
ChEMBLCHEMBL161288
IUPHARN/A
BindingDB50404015
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
18001Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
18002Substance-K receptorP21452TACR2Homo sapiens (Human)398

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