Binder Information
Binder General Information | Top | |||
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Binder ID |
B9PTG1
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Binder Name |
Chembl4215000
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Synonyms |
BDBM50454855
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C80H120N24O15S
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Canonical SMILES |
CC[C@H](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](C(=O)N([C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)[C@@H](C)CC)C)CC2=CC=C(C=C2)O)C(=O)N)C)CC3=CNC4=CC=CC=C43)CC(C)C)CC5=CNC6=CC=CC=C65)C)CO)CCCNC(=N)N)CCCNC(=N)N
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InChI |
1S/C80H120N24O15S/c1-10-43(5)64-74(116)96-55(24-17-31-89-79(84)85)68(110)95-54(23-16-30-88-78(82)83)69(111)101-61(39-105)73(115)93-45(7)67(109)98-58(35-47-37-91-52-21-14-12-19-50(47)52)72(114)99-57(33-42(3)4)71(113)100-60(36-48-38-92-53-22-15-13-20-51(48)53)76(118)103(8)62(66(81)108)40-120-41-63(107)94-59(34-46-26-28-49(106)29-27-46)77(119)104(9)65(44(6)11-2)75(117)97-56(70(112)102-64)25-18-32-90-80(86)87/h12-15,19-22,26-29,37-38,42-45,54-62,64-65,91-92,105-106H,10-11,16-18,23-25,30-36,39-41H2,1-9H3,(H2,81,108)(H,93,115)(H,94,107)(H,95,110)(H,96,116)(H,97,117)(H,98,109)(H,99,114)(H,100,113)(H,101,111)(H,102,112)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t43-,44-,45+,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-/m0/s1
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InChIKey |
GSNXOPMMANYPOJ-SAQCNBIFSA-N
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PubChem Compound ID |
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