Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BRY9Q3
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| Binder Name |
(3R,8S,11S,14S,17S,20S,23S,26S,29S,32S)-11-(4-Acetamidobutyl)-3-amino-23-benzyl-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-26-[3-(diaminomethylideneamino)propyl]-17,29-dimethyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
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| Synonyms |
CHEMBL3736473; BDBM50499242
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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 |
C55H89N17O12S2
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| Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CCCCNC(=O)C)CC(C)C)C)CC3CCN(CC3)C(=N)N)CC4=CC=CC=C4)CCCN=C(N)N
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| InChI |
1S/C55H89N17O12S2/c1-30(2)25-39-49(79)66-37(15-9-10-20-61-33(5)73)47(77)70-42(53(83)84)29-86-85-28-36(56)52(82)72-22-12-17-43(72)51(81)64-32(4)44(74)65-38(16-11-21-62-54(57)58)46(76)68-41(26-34-13-7-6-8-14-34)50(80)69-40(48(78)63-31(3)45(75)67-39)27-35-18-23-71(24-19-35)55(59)60/h6-8,13-14,30-32,35-43H,9-12,15-29,56H2,1-5H3,(H3,59,60)(H,61,73)(H,63,78)(H,64,81)(H,65,74)(H,66,79)(H,67,75)(H,68,76)(H,69,80)(H,70,77)(H,83,84)(H4,57,58,62)/t31-,32-,36-,37-,38-,39-,40-,41-,42+,43-/m0/s1
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| InChIKey |
KERRERRJNCDROY-FPUIQZHASA-N
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| PubChem Compound ID | ||||
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