You can:
Name | BDBM85078 |
---|---|
Molecular formula | C65H111N15O13 |
IUPAC name | (2S,5S,11S,19S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxoundecan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-19-[[(2S)-6-amino-2-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]hexanoyl]amino]-8-(2-amino-2-oxoethyl)-2-benzyl-5-butan-2-yl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxamide |
Molecular weight | 1310.69 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 15 |
XlogP | 3.4 |
Synonyms | CAS_150828-75-4 Ro 25-1392 |
Inchi Key | KNDTYQXSONTYSN-FGQNVLALSA-N |
Inchi ID | InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1 |
PubChem CID | 57339973 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85078 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
173273 | Vasoactive intestinal polypeptide receptor 2 | P41587 | VIPR2 | Homo sapiens (Human) | 438 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218