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Ligand

NameKALLIDIN
Molecular formulaC56H85N17O12
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1188.4
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP-5.3
SynonymsLys-Bradykinin
Lysyl-bradykinin
342-10-9
Lysylbradykinin
[Lys]bradykinin
[ Show all ]
Inchi KeyFYSKZKQBTVLYEQ-FSLKYBNLSA-N
Inchi IDInChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
PubChem CID5311111
ChEMBLN/A
IUPHAR650
BindingDBN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553706B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
553707B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
553710B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334
553708B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
553709B2 bradykinin receptorP32299Bdkrb2Mus musculus (Mouse)392

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