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Name | CHEMBL431264 |
---|---|
Molecular formula | C46H76N12O10 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclododecanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 957.188 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | -1.7 |
Synonyms | N/A |
Inchi Key | FOBINFXTZWLNSW-XYPUQJIVSA-N |
Inchi ID | InChI=1S/C46H76N12O10/c47-24-14-11-19-32(48)39(62)55-33(20-15-25-51-45(49)50)40(63)52-29-38(61)57-46(22-12-6-4-2-1-3-5-7-13-23-46)44(68)53-28-37(60)54-35(30-59)42(65)58-26-16-21-36(58)41(64)56-34(43(66)67)27-31-17-9-8-10-18-31/h8-10,17-18,32-36,59H,1-7,11-16,19-30,47-48H2,(H,52,63)(H,53,68)(H,54,60)(H,55,62)(H,56,64)(H,57,61)(H,66,67)(H4,49,50,51)/t32-,33-,34-,35-,36-/m0/s1 |
PubChem CID | 10843565 |
ChEMBL | CHEMBL431264 |
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 |
---|---|---|---|---|---|
83104 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218