Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B6HJ5N
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| Binder Name |
Ac-c[Cys-Glu-Pro-D-Nal(2'')-Arg-Trp-Cys]-Pro-Pro-Lys-Asp-NH2
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| Synonyms |
CHEMBL268094; BDBM50131877
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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 |
C71H96N16O16S2
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| Canonical SMILES |
CC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CCC(=O)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N7CCC[C@H]7C(=O)CN8CCC[C@H]8C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(=O)N
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| InChI |
1S/C71H96N16O16S2/c1-40(88)46-38-104-105-39-54(70(103)86-28-10-19-56(86)60(91)37-85-27-9-18-55(85)59(90)36-78-48(16-6-7-25-72)58(89)35-79-51(63(73)96)33-62(94)95)84-67(100)53(32-44-34-77-47-15-5-4-14-45(44)47)82-65(98)49(17-8-26-76-71(74)75)80-66(99)52(31-41-21-22-42-12-2-3-13-43(42)30-41)83-68(101)57-20-11-29-87(57)69(102)50(81-64(46)97)23-24-61(92)93/h2-5,12-15,21-22,30,34,46,48-57,77-79H,6-11,16-20,23-29,31-33,35-39,72H2,1H3,(H2,73,96)(H,80,99)(H,81,97)(H,82,98)(H,83,101)(H,84,100)(H,92,93)(H,94,95)(H4,74,75,76)/t46-,48-,49-,50+,51-,52-,53+,54+,55-,56-,57-/m0/s1
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| InChIKey |
FPNNFLZOARGOIQ-XPBRGCSKSA-N
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| PubChem Compound ID | ||||
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