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Name | CHEMBL2370234 |
---|---|
Molecular formula | C43H70N12O10 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[1-[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]cycloheptanecarbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 915.107 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | -3.6 |
Synonyms | N/A |
Inchi Key | NZEUEPVBPHJSKE-UCBQYPOESA-N |
Inchi ID | InChI=1S/C43H70N12O10/c1-26(34(57)53-32(25-56)39(62)55-23-13-18-33(55)38(61)52-31(40(63)64)24-28-14-6-5-7-15-28)50-41(65)43(19-9-3-4-10-20-43)54-35(58)27(2)49-37(60)30(17-12-22-48-42(46)47)51-36(59)29(45)16-8-11-21-44/h5-7,14-15,26-27,29-33,56H,3-4,8-13,16-25,44-45H2,1-2H3,(H,49,60)(H,50,65)(H,51,59)(H,52,61)(H,53,57)(H,54,58)(H,63,64)(H4,46,47,48)/t26-,27?,29-,30-,31-,32-,33-/m0/s1 |
PubChem CID | 73353020 |
ChEMBL | CHEMBL2370234 |
IUPHAR | N/A |
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 |
---|---|---|---|---|---|
235639 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
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