Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9MVJ2
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| Binder Name |
(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,41S,44S,50S)-50-Benzyl-4-[(2S)-butan-2-yl]-25,34-bis[3-(diaminomethylideneamino)propyl]-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-3,6,12,18,21,24,27,30,33,36,39,43,49,52-tetradecaoxo-54,55-dithia-2,5,11,17,20,23,26,29,32,35,38,42,48,51-tetradecazapentacyclo[29.21.4.07,11.013,17.044,48]hexapentacontane-41-carboxylic acid
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| Synonyms |
CHEMBL3623793; BDBM50125045
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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 |
C70H102N20O19S2
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CC5=CC=C(C=C5)O)CO)CCCN=C(N)N)[C@@H](C)O)NC(=O)[C@@H](NC(=O)CNC(=O)C[C@H](NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)CC7=CC=CC=C7)C(=O)O)CCCN=C(N)N
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| InChI |
1S/C70H102N20O19S2/c1-4-36(2)54-63(103)85-47-34-110-111-35-48(84-56(96)41(15-8-24-75-69(71)72)78-53(95)32-77-52(94)31-45(68(108)109)82-61(101)49-17-10-26-88(49)65(105)43(81-59(47)99)29-38-13-6-5-7-14-38)60(100)87-55(37(3)92)64(104)79-42(16-9-25-76-70(73)74)57(97)83-46(33-91)58(98)80-44(30-39-20-22-40(93)23-21-39)66(106)90-28-12-19-51(90)67(107)89-27-11-18-50(89)62(102)86-54/h5-7,13-14,20-23,36-37,41-51,54-55,91-93H,4,8-12,15-19,24-35H2,1-3H3,(H,77,94)(H,78,95)(H,79,104)(H,80,98)(H,81,99)(H,82,101)(H,83,97)(H,84,96)(H,85,103)(H,86,102)(H,87,100)(H,108,109)(H4,71,72,75)(H4,73,74,76)/t36-,37+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1
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| InChIKey |
WLLYNBSNNIWCMO-UATUEGOXSA-N
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| PubChem Compound ID | ||||
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