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Name | Met-lys-bradykinin |
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Molecular formula | C61H94N18O13S |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]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 weight | 1319.6 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 15 |
XlogP | -4.9 |
Synonyms | DTXSID20203536 AC1MHZDS Bradykinin, N2-(N2-L-methionyl-L-lysyl)- 550-19-6 GTPL638 [ Show all ] |
Inchi Key | SSXPFNXUSFJJEI-BHEJXMHWSA-N |
Inchi ID | InChI=1S/C61H94N18O13S/c1-93-32-25-39(63)50(82)72-40(19-8-9-26-62)51(83)73-41(20-10-27-68-60(64)65)56(88)79-31-14-24-48(79)58(90)78-30-12-22-46(78)54(86)70-35-49(81)71-43(33-37-15-4-2-5-16-37)52(84)76-45(36-80)57(89)77-29-13-23-47(77)55(87)75-44(34-38-17-6-3-7-18-38)53(85)74-42(59(91)92)21-11-28-69-61(66)67/h2-7,15-18,39-48,80H,8-14,19-36,62-63H2,1H3,(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,74,85)(H,75,87)(H,76,84)(H,91,92)(H4,64,65,68)(H4,66,67,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
PubChem CID | 3035449 |
ChEMBL | N/A |
IUPHAR | 638 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554873 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
554874 | B2 bradykinin receptor | P32299 | Bdkrb2 | Mus musculus (Mouse) | 392 |
554875 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
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