Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B3C9KW
|
|||
| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-aminophenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
|
|||
| Synonyms |
CHEMBL1791359; BDBM50370740
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C44H60N8O10S
|
|||
| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CS)NC(=O)C
|
|||
| InChI |
1S/C44H60N8O10S/c1-4-25(2)38(52-42(59)37(24-63)47-26(3)53)43(60)50-35(21-27-8-14-30(46)15-9-27)40(57)48-33(7-5-6-20-45)39(56)49-34(22-28-10-16-31(54)17-11-28)41(58)51-36(44(61)62)23-29-12-18-32(55)19-13-29/h8-19,25,33-38,54-55,63H,4-7,20-24,45-46H2,1-3H3,(H,47,53)(H,48,57)(H,49,56)(H,50,60)(H,51,58)(H,52,59)(H,61,62)/t25-,33-,34-,35-,36-,37-,38-/m0/s1
|
|||
| InChIKey |
ZVDDTCKUKMBGMF-ZRUDDMCFSA-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.