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Name | CHEMBL3142313 |
---|---|
Molecular formula | C57H86N14O11S2 |
IUPAC name | (2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-20,20-dicyclopentyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
Molecular weight | 1207.52 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 13 |
XlogP | 2.1 |
Synonyms | BDBM50226418 |
Inchi Key | BMLKVCTUWHHDAJ-BZKRTERRSA-N |
Inchi ID | InChI=1S/C57H86N14O11S2/c1-4-82-38-24-22-35(23-25-38)29-41-49(75)68-42(28-34-14-6-5-7-15-34)51(77)71-47(33(2)3)53(79)69-43(30-45(58)72)50(76)70-44(32-83-84-57(31-46(73)65-41,36-16-8-9-17-36)37-18-10-11-19-37)52(78)66-39(20-12-26-63-55(59)60)48(74)67-40(54(80)81)21-13-27-64-56(61)62/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,58,72)(H,65,73)(H,66,78)(H,67,74)(H,68,75)(H,69,79)(H,70,76)(H,71,77)(H,80,81)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,47-/m0/s1 |
PubChem CID | 90662882 |
ChEMBL | CHEMBL3142313 |
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 |
---|---|---|---|---|---|
27590 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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