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Name | CHEMBL435339 |
---|---|
Molecular formula | C35H45N5O7 |
IUPAC name | 2-[(2S,5R)-5-benzyl-1-[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]-3-oxopiperazin-2-yl]acetic acid |
Molecular weight | 647.773 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | 4.3 |
Synonyms | BDBM50284155 ((2S,5R)-5-Benzyl-1-{(S)-2-[(S)-2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-3-oxo-piperazin-2-yl)-acetic acid |
Inchi Key | QKEXHCTVRMIPST-KHUDPXOFSA-N |
Inchi ID | InChI=1S/C35H45N5O7/c1-21(2)15-28(33(45)40-20-24(16-22-11-7-6-8-12-22)37-32(44)29(40)18-30(41)42)38-31(43)27(39-34(46)47-35(3,4)5)17-23-19-36-26-14-10-9-13-25(23)26/h6-14,19,21,24,27-29,36H,15-18,20H2,1-5H3,(H,37,44)(H,38,43)(H,39,46)(H,41,42)/t24-,27+,28+,29+/m1/s1 |
PubChem CID | 44382272 |
ChEMBL | CHEMBL435339 |
IUPHAR | N/A |
BindingDB | 50284155 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
280299 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
280300 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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