Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B6HK2G
|
|||
| Binder Name |
(3S)-3-Amino-4-[[(2S)-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S)-6-benzyl-9-(carboxymethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-12-(2-methylsulfanylethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-18-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
|
|||
| Synonyms |
CHEMBL2372074
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C53H67N11O17S3
|
|||
| Canonical SMILES |
C[C@H]1C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(=O)O)CCSC)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CC=C(C=C5)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N
|
|||
| InChI |
1S/C53H67N11O17S3/c1-28-45(69)56-27-42(64-48(72)37(18-20-83-3)58-50(74)39(60-46(70)34(54)24-43(65)66)22-30-13-15-32(16-14-30)81-84(78,79)80)53(77)62-40(23-31-26-55-35-12-8-7-11-33(31)35)51(75)59-36(17-19-82-2)47(71)63-41(25-44(67)68)52(76)61-38(49(73)57-28)21-29-9-5-4-6-10-29/h4-16,26,28,34,36-42,55H,17-25,27,54H2,1-3H3,(H,56,69)(H,57,73)(H,58,74)(H,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,71)(H,64,72)(H,65,66)(H,67,68)(H,78,79,80)/t28-,34-,36-,37-,38-,39-,40-,41-,42-/m0/s1
|
|||
| InChIKey |
ZLHWLQRCUWGDLG-LOCJSVKHSA-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.