Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BQ15IE
|
|||
| Binder Name |
(2R)-6-Amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2R)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoic acid
|
|||
| Synonyms |
CHEMBL1790121; BDBM50367715
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C67H87N17O11
|
|||
| Canonical SMILES |
CC[C@@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]6CCCN6C(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H]8CCCN8
|
|||
| InChI |
1S/C67H87N17O11/c1-3-41(2)57(65(92)81-54(33-46-36-70-39-74-46)61(88)76-49(67(94)95)23-13-14-26-68)83-63(90)52(31-44-21-11-6-12-22-44)78-59(86)50(29-42-17-7-4-8-18-42)77-62(89)53(32-45-35-69-38-73-45)79-60(87)51(30-43-19-9-5-10-20-43)80-64(91)56-25-16-28-84(56)66(93)55(34-47-37-71-40-75-47)82-58(85)48-24-15-27-72-48/h4-12,17-22,35-41,48-57,72H,3,13-16,23-34,68H2,1-2H3,(H,69,73)(H,70,74)(H,71,75)(H,76,88)(H,77,89)(H,78,86)(H,79,87)(H,80,91)(H,81,92)(H,82,85)(H,83,90)(H,94,95)/t41-,48-,49-,50+,51+,52+,53+,54+,55+,56-,57+/m1/s1
|
|||
| InChIKey |
VOQRPADEWLBEBT-OFFDLOKFSA-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.