Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BXM7L4
|
|||
| Binder Name |
2-[(1S,7S,10S,13S,16S,22R,25S,31S,34S,37S,40S,43S,46S)-40-(4-Aminobutyl)-16-benzyl-10,46-bis[(2S)-butan-2-yl]-31-[3-(diaminomethylideneamino)propyl]-37-[(1R)-1-hydroxyethyl]-13,34,43-tris(hydroxymethyl)-2,8,11,14,17,23,26,29,32,35,38,41,44,47-tetradecaoxo-3,9,12,15,18,24,27,30,33,36,39,42,45,48-tetradecazatetracyclo[46.3.0.03,7.018,22]henpentacontan-25-yl]acetic acid
|
|||
| Synonyms |
CHEMBL397831
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C67H106N18O20
|
|||
| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[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)CO)CCCN=C(N)N)CC(=O)O)CC5=CC=CC=C5)CO
|
|||
| InChI |
1S/C67H106N18O20/c1-6-35(3)51-62(101)79-43(32-86)57(96)76-42(29-38-17-9-8-10-18-38)64(103)83-26-14-21-46(83)60(99)75-41(30-50(91)92)54(93)72-31-49(90)73-39(20-13-25-71-67(69)70)55(94)77-45(34-88)59(98)82-53(37(5)89)63(102)74-40(19-11-12-24-68)56(95)78-44(33-87)58(97)81-52(36(4)7-2)66(105)85-28-16-23-48(85)65(104)84-27-15-22-47(84)61(100)80-51/h8-10,17-18,35-37,39-48,51-53,86-89H,6-7,11-16,19-34,68H2,1-5H3,(H,72,93)(H,73,90)(H,74,102)(H,75,99)(H,76,96)(H,77,94)(H,78,95)(H,79,101)(H,80,100)(H,81,97)(H,82,98)(H,91,92)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46+,47-,48-,51-,52-,53-/m0/s1
|
|||
| InChIKey |
JCBCIARBMHQADT-ROPOSLPCSA-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.