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Ligand

NameCHEMBL3144340
Molecular formulaC42H46N6O6
IUPAC name(2S)-2-[[(2R)-3-(1-acetylindol-3-yl)-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide
Molecular weight730.866
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsN/A
Inchi KeyNAPRVHFRCLJTHE-JWZGVHCRSA-N
Inchi IDInChI=1S/C42H46N6O6/c1-26(49)47-25-30(32-15-9-10-16-36(32)47)22-33(43-37(50)23-35-42(54)48-31-19-17-29(18-20-31)38(48)40(52)45-35)39(51)44-34(21-27-11-5-3-6-12-27)41(53)46(2)24-28-13-7-4-8-14-28/h3-16,25,29,31,33-35,38H,17-24H2,1-2H3,(H,43,50)(H,44,51)(H,45,52)/t29?,31?,33-,34+,35+,38+/m1/s1
PubChem CID10259370
ChEMBLCHEMBL3144340
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218652Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
218653Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
218654Substance-P receptorP25103TACR1Homo sapiens (Human)407

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