Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BON1H9
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| Binder Name |
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-6-[(2-phenylcyclopropyl)amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid
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| Synonyms |
CHEMBL3402052; BDBM50067549
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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 |
C83H144N30O23
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| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCNC2CC2C3=CC=CC=C3)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)O
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| InChI |
1S/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/m1/s1
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| InChIKey |
LQWMEYPHYZKKLH-DOVAHVRNSA-N
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| PubChem Compound ID | ||||
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