Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BDOE57
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| Binder Name |
[(4S,7R,13R,16S)-16-Acetylamino-14-benzyl-4-carbamoyl-13-(3-guanidino-propyl)-3,3-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid
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| Synonyms |
CHEMBL165153; BDBM50040738
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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 |
C29H43N9O8S2
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| Canonical SMILES |
CC(=O)N[C@@H]1CSSC([C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](N(C1=O)CC2=CC=CC=C2)CCCN=C(N)N)CC(=O)O)C(=O)N)(C)C
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| InChI |
1S/C29H43N9O8S2/c1-16(39)35-19-15-47-48-29(2,3)23(24(30)43)37-25(44)18(12-22(41)42)36-21(40)13-34-26(45)20(10-7-11-33-28(31)32)38(27(19)46)14-17-8-5-4-6-9-17/h4-6,8-9,18-20,23H,7,10-15H2,1-3H3,(H2,30,43)(H,34,45)(H,35,39)(H,36,40)(H,37,44)(H,41,42)(H4,31,32,33)/t18-,19-,20-,23+/m1/s1
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| InChIKey |
TWSSIANDVAXPNW-URFJDIBFSA-N
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| PubChem Compound ID | ||||
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