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Name | CHEMBL262499 |
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Molecular formula | C51H74N10O10S2 |
IUPAC name | (2S)-1-[(10S,13R,16S,19R,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]-N-[(2R)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1051.33 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 9 |
XlogP | 2.0 |
Synonyms | BDBM50020656 1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carbonyl]-pyrrolidine-2-carboxylic acid (5-amino-1-carbamoyl-pentyl)-amide |
Inchi Key | GBIDPAPOSPLFEC-YJXPDNFRSA-N |
Inchi ID | InChI=1S/C51H74N10O10S2/c1-4-71-34-20-18-33(19-21-34)27-36-45(65)57-37(26-32-14-7-5-8-15-32)47(67)60-43(31(2)3)49(69)58-38(28-41(53)62)46(66)59-39(30-72-73-51(29-42(63)55-36)22-10-6-11-23-51)50(70)61-25-13-17-40(61)48(68)56-35(44(54)64)16-9-12-24-52/h5,7-8,14-15,18-21,31,35-40,43H,4,6,9-13,16-17,22-30,52H2,1-3H3,(H2,53,62)(H2,54,64)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,66)(H,60,67)/t35-,36-,37-,38-,39-,40+,43+/m1/s1 |
PubChem CID | 44294507 |
ChEMBL | CHEMBL262499 |
IUPHAR | N/A |
BindingDB | 50020656 |
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 |
---|---|---|---|---|---|
92315 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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