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Ligand

NameBRADYKININ
Molecular formulaC50H73N15O11
IUPAC name(2S)-2-[[(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]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1060.23
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-4.8
SynonymsKallidin I
58-82-2
L-Bradykinin
Synthetic bradykinin
Bradykinin (synthetic)
[ Show all ]
Inchi KeyQXZGBUJJYSLZLT-FDISYFBBSA-N
Inchi IDInChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID439201
ChEMBLCHEMBL406291
IUPHAR649
BindingDB50049949
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
289637B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
554713B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334
554715B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
289636B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
289638B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396
554714B2 bradykinin receptorP32299Bdkrb2Mus musculus (Mouse)392

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