Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BFWE12
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| Binder Name |
(2R)-N-[(2S)-1-Amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
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| Synonyms |
CHEMBL2372291; BDBM50452524
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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 |
C51H74N12O10S2
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| Canonical SMILES |
CCOC1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5
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| InChI |
1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38?,39+,42-/m0/s1
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| InChIKey |
DRLYXDZRLDZVIS-FKSMVYENSA-N
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| PubChem Compound ID | ||||
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