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Ligand

NameCHEMBL107306
Molecular formulaC34H39Cl2N5O3
IUPAC name(2R)-2-amino-1-[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]-2-phenylethanone
Molecular weight636.618
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
Synonyms(R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-yl)-2-phenyl-ethanone
(2R)-1-(1-D-Phenylglycylpiperidine-4-ylaminoacetyl)-2alpha-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazine
BDBM50120197
Inchi KeyAKWFEANKAWGNIH-XDFJSJKPSA-N
Inchi IDInChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32+/m0/s1
PubChem CID44337353
ChEMBLCHEMBL107306
IUPHARN/A
BindingDB50120197
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
7955Substance-K receptorP21452TACR2Homo sapiens (Human)398
7954Substance-P receptorP25103TACR1Homo sapiens (Human)407

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