Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1KIC5
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| Binder Name |
N-[(3S,7E,9S,12R,16S,19S)-16-[[3-(Aminomethyl)phenyl]methyl]-12-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]acetamide
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| Synonyms |
CHEMBL1927307; BDBM50359552
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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 |
C38H51N7O7
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| Canonical SMILES |
CC[C@H](C)[C@@H]1C(=O)N[C@H](/C=C/C(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)N1)CC3=CC(=CC=C3)CN)NC(=O)C)CC4=CC=C(C=C4)O
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| InChI |
1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1
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| InChIKey |
TWTJLEWMIFXFCW-OWQZSLJZSA-N
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| PubChem Compound ID | ||||
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