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Ligand

NameNpc-567
Molecular formulaC60H87N19O13
IUPAC name(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1282.48
Hydrogen bond acceptor17
Hydrogen bond donor17
XlogP-5.9
Synonyms(D-ARG0,HYP3,D-PHE7)-BRADYKININ
109333-26-8
AC1L3OMW
arg(0)-hyp(3)-phe(7)-bradykinin
Arg-3-hyp-7-phe-bradykinin
[ Show all ]
Inchi KeyRBIXVHPHNGXTCI-QJTYZATASA-N
Inchi IDInChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
PubChem CID119343
ChEMBLCHEMBL446325
IUPHAR676
BindingDB50435301
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
292097B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
554724B2 bradykinin receptorP32299Bdkrb2Mus musculus (Mouse)392

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