Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B0K6WY
|
|||
| Binder Name |
(3R,6S,9S,14S,17S,23S,26S)-9-[[(2S)-2-Acetamido-4-methylsulfanylbutanoyl]amino]-3-(4-aminobutyl)-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-17-(3-amino-3-oxopropyl)-6-[(2S)-butan-2-yl]-23-(1H-imidazol-5-ylmethyl)-2,5,8,16,19,22,25-heptaoxo-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carboxamide
|
|||
| Synonyms |
CHEMBL1684372; BDBM50338750
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C51H85N15O12S
|
|||
| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCC[C@@H](C(=O)N1)NC(=O)[C@H](CCSC)NC(=O)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N)CCC(=O)N)CC3=CN=CN3)CCCCN
|
|||
| InChI |
1S/C51H85N15O12S/c1-7-28(3)41(43(54)70)64-47(74)32-14-9-10-15-33(61-46(73)35(20-23-79-6)58-30(5)67)48(75)65-42(29(4)8-2)50(77)62-36(16-11-12-21-52)51(78)66-22-13-17-38(66)49(76)63-37(24-31-25-55-27-57-31)44(71)56-26-40(69)59-34(45(72)60-32)18-19-39(53)68/h25,27-29,32-38,41-42H,7-24,26,52H2,1-6H3,(H2,53,68)(H2,54,70)(H,55,57)(H,56,71)(H,58,67)(H,59,69)(H,60,72)(H,61,73)(H,62,77)(H,63,76)(H,64,74)(H,65,75)/t28-,29-,32-,33-,34-,35-,36+,37-,38-,41-,42-/m0/s1
|
|||
| InChIKey |
DWKJUGUEBOOJFH-FQIZTZIXSA-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.