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Ligand

Name8-Leu-9-des-arg-BK
Molecular formulaC41H63N11O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
Molecular weight870.022
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP-3.6
Synonyms8-Leu-9-de-arg-bradykinin
Bradykinin, leu(8) (1-8)
bradykinin, Leu(8)-des-Arg(9)-
Bradykinin, leucyl(8)-des-arginine(9)-
[Leu8,des-Arg9]bradykinin
[ Show all ]
Inchi KeyBGAPYBBQGHUQNM-YYGRSCHNSA-N
Inchi IDInChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID123884
ChEMBLCHEMBL80472
IUPHAR641
BindingDB50089306
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22794B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
553348B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334
553349B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
22795B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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