Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BS9QZ5
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| Binder Name |
Asp-Thr-Met-Arg-Ala-Met-Cys-Gly-Arg-Val-Tyr-Arg-Pro-Cys-Trp-Glu-Val
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| Synonyms |
CHEMBL2371646; BDBM50022801
Click to Show/Hide
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C87H135N27O24S4
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CCCN=C(N)N)C(C)C)CC3=CC=C(C=C3)O)CCCN=C(N)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)N)O
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| InChI |
1S/C87H135N27O24S4/c1-42(2)66-81(134)108-58(35-46-21-23-48(116)24-22-46)77(130)106-57(19-13-31-97-87(93)94)83(136)114-32-14-20-62(114)80(133)110-61(79(132)107-59(36-47-38-98-51-16-10-9-15-49(47)51)78(131)104-54(25-26-64(118)119)76(129)112-67(43(3)4)84(137)138)41-142-141-40-60(71(124)99-39-63(117)101-52(75(128)111-66)17-11-29-95-85(89)90)109-74(127)55(27-33-139-7)102-69(122)44(5)100-72(125)53(18-12-30-96-86(91)92)103-73(126)56(28-34-140-8)105-82(135)68(45(6)115)113-70(123)50(88)37-65(120)121/h9-10,15-16,21-24,38,42-45,50,52-62,66-68,98,115-116H,11-14,17-20,25-37,39-41,88H2,1-8H3,(H,99,124)(H,100,125)(H,101,117)(H,102,122)(H,103,126)(H,104,131)(H,105,135)(H,106,130)(H,107,132)(H,108,134)(H,109,127)(H,110,133)(H,111,128)(H,112,129)(H,113,123)(H,118,119)(H,120,121)(H,137,138)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,62-,66-,67-,68-/m0/s1
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| InChIKey |
YNTLXCCOUTZYLE-RISCQXAZSA-N
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| PubChem Compound ID | ||||
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