Binder Information
Binder General Information | Top | |||
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Binder ID |
BI97QF
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Binder Name |
Chembl2332610
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Synonyms |
CHEMBL2448530; BDBM50431220
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C64H93N17O16S3
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Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](CSC3)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N1)CCCN=C(N)N)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)O)CC7=CC=C(C=C7)O
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InChI |
1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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InChIKey |
JRYGECRIWPBGKA-YYWSLAFDSA-N
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PubChem Compound ID |
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