Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BF1A5S
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| Binder Name |
(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-11,23-dibenzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-17,29-dimethyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
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| Synonyms |
CHEMBL3735513; BDBM50499241
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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 |
C56H84N16O11S2
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| Canonical SMILES |
C[C@H]1C(=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)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC3=CC=CC=C3)CC(C)C)C)CC4CCN(CC4)C(=N)N)CC5=CC=CC=C5)CCCN=C(N)N
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| InChI |
1S/C56H84N16O11S2/c1-31(2)25-39-49(77)69-42(27-35-15-9-6-10-16-35)51(79)70-43(54(82)83)30-85-84-29-37(57)53(81)72-22-12-18-44(72)52(80)64-33(4)45(73)65-38(17-11-21-62-55(58)59)47(75)67-41(26-34-13-7-5-8-14-34)50(78)68-40(48(76)63-32(3)46(74)66-39)28-36-19-23-71(24-20-36)56(60)61/h5-10,13-16,31-33,36-44H,11-12,17-30,57H2,1-4H3,(H3,60,61)(H,63,76)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,78)(H,69,77)(H,70,79)(H,82,83)(H4,58,59,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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| InChIKey |
DAZKRYLEGWSBDU-RSOQHMFVSA-N
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| PubChem Compound ID | ||||
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