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Name | CHEMBL2371442 |
---|---|
Molecular formula | C46H65N13O10 |
IUPAC name | (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,5S,8S,11S,14R)-11-(2-amino-2-oxoethyl)-2,5-dibenzyl-3,6,9,12,18-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclooctadecane-14-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 960.107 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | -1.5 |
Synonyms | BDBM50020699 1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6,9,12,18-pentaoxo-1,4,7,10,13pentaaza-cyclooctadecane-14-carbonyl)-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide |
Inchi Key | USZGVGQIVCXWJD-BOMHRLEWSA-N |
Inchi ID | InChI=1S/C46H65N13O10/c1-26(2)38-44(68)57-33(24-35(47)60)41(65)55-30(45(69)59-21-11-18-34(59)43(67)54-29(17-10-20-51-46(49)50)39(63)52-25-36(48)61)16-9-19-37(62)53-31(22-27-12-5-3-6-13-27)40(64)56-32(42(66)58-38)23-28-14-7-4-8-15-28/h3-8,12-15,26,29-34,38H,9-11,16-25H2,1-2H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,65)(H,56,64)(H,57,68)(H,58,66)(H4,49,50,51)/t29-,30+,31-,32-,33-,34-,38-/m0/s1 |
PubChem CID | 73345563 |
ChEMBL | CHEMBL2371442 |
IUPHAR | N/A |
BindingDB | 50020699 |
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 |
---|---|---|---|---|---|
344825 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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