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Name | des-Arg10-Kallidin |
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Molecular formula | C50H73N13O11 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 1032.21 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | -3.8 |
Synonyms | Bradykinin, N2-L-lysyl-9-de-L-arginine- GTPL644 Lys-[des-Arg9]BK AC1L3U7V D05TZN [ Show all ] |
Inchi Key | AILVBOHFGXNHCC-TZPCGENMSA-N |
Inchi ID | InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
PubChem CID | 122227 |
ChEMBL | CHEMBL264100 |
IUPHAR | 644 |
BindingDB | 50156454, 50214792 |
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 |
---|---|---|---|---|---|
6326 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
6327 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
553276 | B1 bradykinin receptor | Q61125 | Bdkrb1 | Mus musculus (Mouse) | 334 |
553277 | B2 bradykinin receptor | P32299 | Bdkrb2 | Mus musculus (Mouse) | 392 |
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