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Ligand

NameCHEMBL387506
Molecular formulaC38H44N6O5
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(oxan-4-ylamino)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight664.807
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP3.4
SynonymsN/A
Inchi KeyPSMURYWPGARIKS-ODRDEDCPSA-N
Inchi IDInChI=1S/C38H44N6O5/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1
PubChem CID11366268
ChEMBLCHEMBL387506
IUPHARN/A
BindingDBN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267736Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
267735Substance-K receptorP21452TACR2Homo sapiens (Human)398
267738Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
267739Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
267737Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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