Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B2VU1B
|
|||
| Binder Name |
2-[(3S,6S,9S,12S,15S,18R,23R,26S,29S)-18-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-12-[(2S)-butan-2-yl]-23-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-6-[(1R)-1-hydroxyethyl]-26-(1H-imidazol-5-ylmethyl)-3,9-bis(2-methylpropyl)-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-15-yl]acetic acid
|
|||
| Synonyms |
CHEMBL1689446; BDBM50339220
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C86H127N21O21S2
|
|||
| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(=O)N)C(=O)N)CC6=CN=CN6)CC(C)C)[C@@H](C)O)CC(C)C
|
|||
| InChI |
1S/C86H127N21O21S2/c1-13-44(8)68-82(124)98-56(30-42(4)5)77(119)106-71(47(11)108)85(127)100-61(31-43(6)7)86(128)107-29-21-26-64(107)81(123)97-59(34-51-38-90-41-92-51)76(118)101-63(80(122)105-69(45(9)14-2)83(125)99-57(32-49-22-17-16-18-23-49)74(116)95-55(72(89)114)35-66(88)111)40-130-129-39-62(79(121)96-60(36-67(112)113)78(120)104-68)102-84(126)70(46(10)15-3)103-73(115)54(27-28-65(87)110)94-75(117)58(93-48(12)109)33-50-37-91-53-25-20-19-24-52(50)53/h16-20,22-25,37-38,41-47,54-64,68-71,91,108H,13-15,21,26-36,39-40H2,1-12H3,(H2,87,110)(H2,88,111)(H2,89,114)(H,90,92)(H,93,109)(H,94,117)(H,95,116)(H,96,121)(H,97,123)(H,98,124)(H,99,125)(H,100,127)(H,101,118)(H,102,126)(H,103,115)(H,104,120)(H,105,122)(H,106,119)(H,112,113)/t44-,45-,46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-,69-,70-,71-/m0/s1
|
|||
| InChIKey |
ZHLVEPNUVQMNMX-YKDQBVACSA-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.