Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BR1P6J
|
|||
| Binder Name |
{(S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl]-1-[2-(4-methoxy-phenyl)-5-(naphthalen-1-ylcarbamoylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester
|
|||
| Synonyms |
CHEMBL302113; BDBM50103059
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C49H49N4O10PS
|
|||
| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)OCC2=CC=CC=C2)C(=O)NC3C(SC4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)OC
|
|||
| InChI |
1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
|
|||
| InChIKey |
JQCKKEWSOORMRU-IGRTVOGDSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.