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Name | CHEMBL334538 |
---|---|
Molecular formula | C45H74N10O8 |
IUPAC name | (2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[11-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]undecanoylamino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
Molecular weight | 883.149 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 9 |
XlogP | -0.5 |
Synonyms | BDBM50408811 |
Inchi Key | HBAZGNSBGBRHNJ-KTFZPKBHSA-N |
Inchi ID | InChI=1S/C45H74N10O8/c46-23-13-12-19-33(47)40(58)53-34(20-15-25-51-45(48)49)41(59)50-24-14-6-4-2-1-3-5-7-22-39(57)52-35(29-56)42(60)54-28-32-18-9-8-16-30(32)26-37(54)43(61)55-36-21-11-10-17-31(36)27-38(55)44(62)63/h8-9,16,18,31,33-38,56H,1-7,10-15,17,19-29,46-47H2,(H,50,59)(H,52,57)(H,53,58)(H,62,63)(H4,48,49,51)/t31-,33-,34-,35-,36-,37+,38-/m0/s1 |
PubChem CID | 44354039 |
ChEMBL | CHEMBL334538 |
IUPHAR | N/A |
BindingDB | 50408811 |
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 |
---|---|---|---|---|---|
110307 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
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