You can:
Name | CHEMBL3354585 |
---|---|
Molecular formula | C46H73N11O12S |
IUPAC name | (3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-N-pentyl-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide |
Molecular weight | 1004.22 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 11 |
XlogP | -0.2 |
Synonyms | BDBM50044734 |
Inchi Key | COMIMQQIDBGQFG-SFKWGLIHSA-N |
Inchi ID | InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1 |
PubChem CID | 118720275 |
ChEMBL | CHEMBL3354585 |
IUPHAR | N/A |
BindingDB | 50044734 |
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 |
---|---|---|---|---|---|
443523 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
443524 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
443525 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
443526 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417