Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B9OK7V
|
|||
| Binder Name |
2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43R,49S)-25-(4-Aminobutyl)-49-benzyl-4,19-bis[(2S)-butan-2-yl]-34-[[4-(diaminomethylideneamino)phenyl]methyl]-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-53,54-dithia-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecazapentacyclo[29.20.4.07,11.013,17.043,47]pentapentacontan-40-yl]acetic acid
|
|||
| Synonyms |
CHEMBL412487
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C71H104N18O18S2
|
|||
| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]5CCCN5C(=O)[C@@H](NC2=O)CC6=CC=CC=C6)CC(=O)O)CC7=CC=C(C=C7)N=C(N)N
|
|||
| InChI |
1S/C71H104N18O18S2/c1-6-37(3)55-66(103)83-48-35-108-109-36-49(63(100)86-57(39(5)91)67(104)78-43(18-11-12-26-72)59(96)81-47(34-90)61(98)85-56(38(4)7-2)70(107)89-29-15-21-52(89)69(106)88-28-14-20-51(88)65(102)84-55)82-60(97)44(30-41-22-24-42(25-23-41)76-71(73)74)77-53(92)33-75-58(95)45(32-54(93)94)79-64(101)50-19-13-27-87(50)68(105)46(80-62(48)99)31-40-16-9-8-10-17-40/h8-10,16-17,22-25,37-39,43-52,55-57,90-91H,6-7,11-15,18-21,26-36,72H2,1-5H3,(H,75,95)(H,77,92)(H,78,104)(H,79,101)(H,80,99)(H,81,96)(H,82,97)(H,83,103)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,73,74,76)/t37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,55-,56-,57-/m0/s1
|
|||
| InChIKey |
HBIZVUWWPSEBLM-WYBOVAMQSA-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.