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Name | CHEMBL96119 |
---|---|
Molecular formula | C42H68N12O10 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclooctanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 901.08 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | -3.9 |
Synonyms | N/A |
Inchi Key | MWDOMUWNRGUTEA-XDIGFQIYSA-N |
Inchi ID | InChI=1S/C42H68N12O10/c43-20-10-7-15-28(44)35(58)51-29(16-11-21-47-41(45)46)36(59)48-25-34(57)53-42(18-8-2-1-3-9-19-42)40(64)49-24-33(56)50-31(26-55)38(61)54-22-12-17-32(54)37(60)52-30(39(62)63)23-27-13-5-4-6-14-27/h4-6,13-14,28-32,55H,1-3,7-12,15-26,43-44H2,(H,48,59)(H,49,64)(H,50,56)(H,51,58)(H,52,60)(H,53,57)(H,62,63)(H4,45,46,47)/t28-,29-,30-,31-,32-/m0/s1 |
PubChem CID | 10795810 |
ChEMBL | CHEMBL96119 |
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 |
---|---|---|---|---|---|
215742 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
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