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Ligand

NameCHEMBL65468
Molecular formulaC39H35F6N8O5-
IUPAC name[3,5-bis(trifluoromethyl)phenyl]methyl 2-[[4-hydroxy-1-[1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)butyl]indole-3-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
Molecular weight809.75
Hydrogen bond acceptor15
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50290461
potassium 3,5-di(trifluoromethyl)benzyl 2-[4-hydroxy-1-{1-[4-(1H-1,2,3,4-tetraazol-5-yl)butyl]-1H-3-indolylcarbonyl}-(2R,4S)-tetrahydro-1H-2-pyrrolylcarboxamido]-3-(1H-3-indolyl)-(2S)-propanoate
Inchi KeyBALUIQVSZLKYRA-UHFFFAOYSA-M
Inchi IDInChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1
PubChem CID91934562
ChEMBLN/A
IUPHARN/A
BindingDB50290461
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18975Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
18973Substance-K receptorP21452TACR2Homo sapiens (Human)398
519780Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
18972Substance-P receptorP25103TACR1Homo sapiens (Human)407

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