Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B3L7RE
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| Binder Name |
Chembl415810
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| Synonyms |
CHEMBL2370123; BDBM50108519; NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta(S-OAc)-D-A-E-F; Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-O-Acetyl-Sta-Asp-Ala-Glu-Phe-OH
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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 |
C74H116N16O30
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)OC(=O)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)N
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| InChI |
1S/C74H116N16O30/c1-10-36(6)60(89-67(111)45(22-26-57(102)103)81-64(108)43(20-24-55(98)99)83-73(117)61(38(8)92)90-63(107)41(76)18-14-15-27-75)72(116)87-50(33-91)70(114)82-44(21-25-56(100)101)66(110)88-59(35(4)5)71(115)85-47(30-52(77)94)69(113)84-46(28-34(2)3)51(120-39(9)93)32-53(95)79-48(31-58(104)105)68(112)78-37(7)62(106)80-42(19-23-54(96)97)65(109)86-49(74(118)119)29-40-16-12-11-13-17-40/h11-13,16-17,34-38,41-51,59-61,91-92H,10,14-15,18-33,75-76H2,1-9H3,(H2,77,94)(H,78,112)(H,79,95)(H,80,106)(H,81,108)(H,82,114)(H,83,117)(H,84,113)(H,85,115)(H,86,109)(H,87,116)(H,88,110)(H,89,111)(H,90,107)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,118,119)/t36-,37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,59-,60-,61-/m0/s1
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| InChIKey |
BQYNELCPVWCZLF-HVJJGBMASA-N
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| PubChem Compound ID | ||||
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