You can:
Name | KALLIDIN |
---|---|
Molecular formula | C56H85N17O12 |
IUPAC name | (2S)-2-[[(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-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
Molecular weight | 1188.4 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 14 |
XlogP | -5.3 |
Synonyms | 0T8T4A440G D08HBN Lysyl-bradykinin AC1NSK0H UNII-0T8T4A440G [ Show all ] |
Inchi Key | FYSKZKQBTVLYEQ-FSLKYBNLSA-N |
Inchi ID | InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 |
PubChem CID | 5311111 |
ChEMBL | N/A |
IUPHAR | 650 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553706 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
553707 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
553710 | B1 bradykinin receptor | Q61125 | Bdkrb1 | Mus musculus (Mouse) | 334 |
553708 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
553709 | B2 bradykinin receptor | P32299 | Bdkrb2 | Mus musculus (Mouse) | 392 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417