Binder Information
Binder General Information | Top | |||
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Binder ID |
B30NPJ
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Binder Name |
Kiicspghfggmycqgk
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Synonyms |
CHEMBL503219; BDBM50270785
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C80H122N22O21S3
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Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CO)CC3=CN=CN3)CC4=CC=CC=C4)CCSC)CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
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InChI |
1S/C80H122N22O21S3/c1-6-44(3)66(101-78(120)67(45(4)7-2)100-68(110)50(83)18-11-13-28-81)77(119)99-59-42-126-125-41-58(74(116)94-51(25-26-61(84)105)69(111)88-38-64(108)92-53(80(122)123)19-12-14-29-82)98-72(114)55(33-47-21-23-49(104)24-22-47)96-71(113)52(27-31-124-5)91-63(107)37-86-62(106)36-87-70(112)54(32-46-16-9-8-10-17-46)95-73(115)56(34-48-35-85-43-90-48)93-65(109)39-89-76(118)60-20-15-30-102(60)79(121)57(40-103)97-75(59)117/h8-10,16-17,21-24,35,43-45,50-60,66-67,103-104H,6-7,11-15,18-20,25-34,36-42,81-83H2,1-5H3,(H2,84,105)(H,85,90)(H,86,106)(H,87,112)(H,88,111)(H,89,118)(H,91,107)(H,92,108)(H,93,109)(H,94,116)(H,95,115)(H,96,113)(H,97,117)(H,98,114)(H,99,119)(H,100,110)(H,101,120)(H,122,123)/t44-,45-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-,67-/m0/s1
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InChIKey |
PTIKFFAQESKEGS-RLYKKVSASA-N
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PubChem Compound ID |
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