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Name | CHEMBL2304157 |
---|---|
Molecular formula | C36H43N9O5 |
IUPAC name | 2-adamantyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(2R)-2-[[4-oxo-4-(2H-tetrazol-5-ylamino)butanoyl]amino]-2-phenylethyl]amino]propan-2-yl]carbamate |
Molecular weight | 681.798 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 6 |
XlogP | 3.5 |
Synonyms | BDBM50449519 |
Inchi Key | DHCPCOHAOIIJNV-WHIQUKMESA-N |
Inchi ID | InChI=1S/C36H43N9O5/c1-36(18-26-19-37-28-10-6-5-9-27(26)28,41-35(49)50-32-24-14-21-13-22(16-24)17-25(32)15-21)33(48)38-20-29(23-7-3-2-4-8-23)39-30(46)11-12-31(47)40-34-42-44-45-43-34/h2-10,19,21-22,24-25,29,32,37H,11-18,20H2,1H3,(H,38,48)(H,39,46)(H,41,49)(H2,40,42,43,44,45,47)/t21?,22?,24?,25?,29-,32?,36+/m0/s1 |
PubChem CID | 15673180 |
ChEMBL | CHEMBL2304157 |
IUPHAR | N/A |
BindingDB | 50449519 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
59862 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
59861 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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