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Ligand

Namedes-Arg10-Kallidin
Molecular formulaC50H73N13O11
IUPAC name(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-phenylpropanoic acid
Molecular weight1032.21
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP-3.8
Synonyms71800-36-7
kallidin, des-Arg(10)-
Lys-[Des-Arg9]Bradykinin
CHEMBL264100
[des-Arg10]kallidin
[ Show all ]
Inchi KeyAILVBOHFGXNHCC-TZPCGENMSA-N
Inchi IDInChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
PubChem CID122227
ChEMBLCHEMBL264100
IUPHAR644
BindingDB50214792, 50156454
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
6326B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
6327B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
553276B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334
553277B2 bradykinin receptorP32299Bdkrb2Mus musculus (Mouse)392

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