Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5S3JN
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| Binder Name |
(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-11-(carboxymethyl)-23-(hydroxymethyl)-17,26-bis[(4-hydroxyphenyl)methyl]-29-methyl-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 |
CHEMBL3735080; BDBM50499240
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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 |
C54H77N13O16S2
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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)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CC4CCN(CC4)C(=N)N)CO)CC5=CC=C(C=C5)O
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| InChI |
1S/C54H77N13O16S2/c1-27(2)19-35-45(74)63-39(23-43(71)72)49(78)65-41(53(82)83)26-85-84-25-34(55)52(81)67-16-4-5-42(67)51(80)58-28(3)44(73)59-36(20-29-6-10-32(69)11-7-29)48(77)64-40(24-68)50(79)62-38(22-31-14-17-66(18-15-31)54(56)57)47(76)61-37(46(75)60-35)21-30-8-12-33(70)13-9-30/h6-13,27-28,31,34-42,68-70H,4-5,14-26,55H2,1-3H3,(H3,56,57)(H,58,80)(H,59,73)(H,60,75)(H,61,76)(H,62,79)(H,63,74)(H,64,77)(H,65,78)(H,71,72)(H,82,83)/t28-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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| InChIKey |
WRGPIGGAVZQKSB-ZSEJDYQNSA-N
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| PubChem Compound ID | ||||
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