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Ligand

NameCHEMBL332872
Molecular formulaC38H50N8O8
IUPAC name2-[(2R,5S,8R,11S,14R)-8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetic acid
Molecular weight746.866
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-1.4
SynonymsBDBM50407239
Inchi KeyHWXOTFKHHKEHFJ-GQZMCTKHSA-N
Inchi IDInChI=1S/C38H50N8O8/c1-22(2)16-25-21-42-29(19-34(49)50)37(53)44-28(12-13-32(39)47)36(52)46-31(18-24-20-41-27-11-7-6-10-26(24)27)38(54)45-30(17-23-8-4-3-5-9-23)35(51)40-15-14-33(48)43-25/h3-11,20,22,25,28-31,41-42H,12-19,21H2,1-2H3,(H2,39,47)(H,40,51)(H,43,48)(H,44,53)(H,45,54)(H,46,52)(H,49,50)/t25-,28-,29+,30-,31+/m1/s1
PubChem CID44346487
ChEMBLCHEMBL332872
IUPHARN/A
BindingDB50407239
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
125935Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
125936Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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