Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BF7QD1
|
|||
| Binder Name |
(8S,11S,14S,17S,28S,31S,34S,37R)-37-(Cyclopropylsulfonylamino)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,23-dioxa-5,6,7,10,13,16,30,33,36-nonazahexacyclo[37.2.2.219,22.14,7.18,11.128,31]octatetraconta-1(42),4(48),5,19,21,39(43),40,45-octaene-17-carboxylic acid
|
|||
| Synonyms |
CHEMBL3609325; BDBM50112346
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C83H106N14O14S
|
|||
| Canonical SMILES |
C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H]2CCCCOC3=CC=C(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@@H](CN4C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N5C=C(COC6=CC=C(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C2)CC7=CC8=CC=CC=C8C=C7)NS(=O)(=O)C9CC9)C=C6)N=N5)CC1=CC2=CC=CC=C2C=C1)C(=O)O)C=C3)C(C)(C)C)NC
|
|||
| InChI |
1S/C83H106N14O14S/c1-49(84-9)73(98)90-71(82(3,4)5)79(104)95-45-55-17-15-16-36-110-62-30-24-51(25-31-62)39-67(81(106)107)88-75(100)65(40-53-22-28-56-18-11-13-20-58(56)37-53)86-78(103)69-44-61(47-96(69)80(105)72(83(6,7)8)91-74(99)50(2)85-10)97-46-60(92-94-97)48-111-63-32-26-52(27-33-63)43-70(93-112(108,109)64-34-35-64)89-76(101)66(87-77(102)68(95)42-55)41-54-23-29-57-19-12-14-21-59(57)38-54/h11-14,18-33,37-38,46,49-50,55,61,64-72,84-85,93H,15-17,34-36,39-45,47-48H2,1-10H3,(H,86,103)(H,87,102)(H,88,100)(H,89,101)(H,90,98)(H,91,99)(H,106,107)/t49-,50-,55-,61-,65-,66-,67-,68-,69-,70+,71+,72+/m0/s1
|
|||
| InChIKey |
MLQVQPMTZJBGEY-VGEDNRJQSA-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.