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Ligand

NameEISAI-1
Molecular formulaC43H71N11O7
IUPAC nameethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate
Molecular weight854.111
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP2.5
Synonyms125600-60-4
H(CH3)-Arg-lys-pro-trp-tert-leu-leu-oet
D0W9II
Methylarginyl-lysyl-prolyl-tryptophyl-tert-leucyl-leucyl-ethyl ester
(Me)Arg-lys-pro-trp-tert-leu-leu-oet
[ Show all ]
Inchi KeyBLWANJSERJECRU-ULWXFTFZSA-N
Inchi IDInChI=1S/C43H71N11O7/c1-8-61-41(60)33(23-26(2)3)52-39(58)35(43(4,5)6)53-37(56)32(24-27-25-49-29-16-10-9-15-28(27)29)51-38(57)34-19-14-22-54(34)40(59)31(17-11-12-20-44)50-36(55)30(47-7)18-13-21-48-42(45)46/h9-10,15-16,25-26,30-35,47,49H,8,11-14,17-24,44H2,1-7H3,(H,50,55)(H,51,57)(H,52,58)(H,53,56)(H4,45,46,48)/t30-,31-,32-,33-,34-,35+/m0/s1
PubChem CID130482
ChEMBLN/A
IUPHAR1566
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553401Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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