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Ligand

NameCHEMBL387699
Molecular formulaC38H44N6O4
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-piperidin-1-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight648.808
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.3
SynonymsN/A
Inchi KeyASEHDKSOPQBKAO-ODRDEDCPSA-N
Inchi IDInChI=1S/C38H44N6O4/c45-35-23-34(44-18-10-3-11-19-44)38(48)40-25-29(20-26-12-4-1-5-13-26)41-36(46)32(21-27-14-6-2-7-15-27)43-37(47)33(42-35)22-28-24-39-31-17-9-8-16-30(28)31/h1-2,4-9,12-17,24,29,32-34,39H,3,10-11,18-23,25H2,(H,40,48)(H,41,46)(H,42,45)(H,43,47)/t29-,32+,33+,34-/m1/s1
PubChem CID11479743
ChEMBLCHEMBL387699
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13057Substance-K receptorP21452TACR2Homo sapiens (Human)398
13058Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384

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