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Name | 8-Leu-9-des-arg-BK |
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Molecular formula | C41H63N11O10 |
IUPAC name | (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]-4-methylpentanoic acid |
Molecular weight | 870.022 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 9 |
XlogP | -3.6 |
Synonyms | 2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-4-methyl-pentanoic acid Arg-Pro-Pro-Gly-Phe-Ser-Pro-Leu D00FUT 64695-06-3 Bradykinin, leu(8) (1-8) [ Show all ] |
Inchi Key | BGAPYBBQGHUQNM-YYGRSCHNSA-N |
Inchi ID | InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1 |
PubChem CID | 123884 |
ChEMBL | CHEMBL80472 |
IUPHAR | 641 |
BindingDB | 50089306 |
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 |
---|---|---|---|---|---|
22794 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
553348 | B1 bradykinin receptor | Q61125 | Bdkrb1 | Mus musculus (Mouse) | 334 |
553349 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
22795 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
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