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Name | BRADYKININ |
---|---|
Molecular formula | C50H73N15O11 |
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 weight | 1060.23 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 12 |
XlogP | -4.8 |
Synonyms | (BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH BK Callidin I FT-0688979 L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine [ Show all ] |
Inchi Key | QXZGBUJJYSLZLT-FDISYFBBSA-N |
Inchi ID | InChI=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 CID | 439201 |
ChEMBL | CHEMBL406291 |
IUPHAR | 649 |
BindingDB | 50049949 |
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 |
---|---|---|---|---|---|
289637 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
554713 | B1 bradykinin receptor | Q61125 | Bdkrb1 | Mus musculus (Mouse) | 334 |
554715 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
289636 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
289638 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
554714 | B2 bradykinin receptor | P32299 | Bdkrb2 | Mus musculus (Mouse) | 392 |
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