Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BB5K9H
|
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| Binder Name |
CHEMBL507780
|
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| Binder Type |
Small molecular drug
|
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| Formula |
C94H150N32O29
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
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| InChI |
1S/C94H150N32O29/c1-41(2)25-60(117-85(147)65(32-69(134)135)113-68(133)36-105-79(141)58(17-15-23-103-93(96)97)114-74(136)45(8)111-87(149)67(37-127)122-77(139)47(10)112-88(150)70(48(11)128)123-78(140)57(95)28-52-19-21-56(132)22-20-52)81(143)109-46(9)76(138)116-63(30-54-34-101-39-107-54)83(145)118-61(26-42(3)4)86(148)124-72(50(13)130)90(152)126-73(51(14)131)91(153)125-71(49(12)129)89(151)120-62(29-53-33-100-38-106-53)82(144)110-44(7)75(137)115-59(18-16-24-104-94(98)99)80(142)119-64(31-55-35-102-40-108-55)84(146)121-66(92(154)155)27-43(5)6/h19-22,33-35,38-51,57-67,70-73,127-132H,15-18,23-32,36-37,95H2,1-14H3,(H,100,106)(H,101,107)(H,102,108)(H,105,141)(H,109,143)(H,110,144)(H,111,149)(H,112,150)(H,113,133)(H,114,136)(H,115,137)(H,116,138)(H,117,147)(H,118,145)(H,119,142)(H,120,151)(H,121,146)(H,122,139)(H,123,140)(H,124,148)(H,125,153)(H,126,152)(H,134,135)(H,154,155)(H4,96,97,103)(H4,98,99,104)/t44-,45-,46-,47-,48+,49+,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-,71-,72-,73-/m0/s1
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| InChIKey |
HQEXEBOJLGCDNE-WYUZMBKCSA-N
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