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Name | CHEMBL337833 |
---|---|
Molecular formula | C46H76N12O8 |
IUPAC name | (2R,3aR,7aR)-1-[(2R)-2-[[(2S)-2-[11-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]undecanoylamino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
Molecular weight | 925.19 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | -0.9 |
Synonyms | BDBM50408801 |
Inchi Key | NJIWDPIEEUPLLQ-GRVYSENZSA-N |
Inchi ID | InChI=1S/C46H76N12O8/c47-33(18-13-23-53-45(48)49)40(61)56-34(19-14-24-54-46(50)51)41(62)52-22-12-6-4-2-1-3-5-7-21-38(60)55-35(28-59)42(63)57-39(32-25-29-15-8-9-16-30(29)26-32)43(64)58-36-20-11-10-17-31(36)27-37(58)44(65)66/h8-9,15-16,31-37,39,59H,1-7,10-14,17-28,47H2,(H,52,62)(H,55,60)(H,56,61)(H,57,63)(H,65,66)(H4,48,49,53)(H4,50,51,54)/t31-,33-,34+,35+,36-,37-,39-/m1/s1 |
PubChem CID | 44354187 |
ChEMBL | CHEMBL337833 |
IUPHAR | N/A |
BindingDB | 50408801 |
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 |
---|---|---|---|---|---|
224809 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
224810 | B2 bradykinin receptor | O70526 | BDKRB2 | Cavia porcellus (Guinea pig) | 372 |
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