Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BN9UL5
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| Binder Name |
(2R)-1-[(4S,7R,10R,13R,16R,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2R)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1R)-1-[(2-amino-2-oxoethyl)amino]-3-methylbutyl]pyrrolidine-2-carboxamide
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| Synonyms |
CHEMBL1630535; BDBM50332730
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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 |
C42H66N12O11S2
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| Canonical SMILES |
CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)NCC(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C42H66N12O11S2/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)20-67-66-19-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m1/s1
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| InChIKey |
DWNKABKAGUQWQK-GQJHTENYSA-N
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| PubChem Compound ID | ||||
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