Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1SG2U
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| Binder Name |
(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]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-carbamimidamidopentanoyl]amino]hexanoyl]amino]-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pentanediamide
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| Synonyms |
CHEMBL4099300
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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 |
C87H160N34O25S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)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)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)N)O
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| InChI |
1S/C87H160N34O25S/c1-43(2)39-58(68(94)130)116-76(138)55(26-28-61(92)126)112-72(134)51(21-10-13-32-89)110-74(136)54(24-17-36-103-87(99)100)114-80(142)60-25-18-37-121(60)84(146)45(4)107-71(133)50(20-9-12-31-88)108-64(129)41-104-63(128)40-105-81(143)65(46(5)123)119-79(141)59(42-122)117-75(137)52(22-11-14-33-90)111-73(135)53(23-16-35-102-86(97)98)109-69(131)44(3)106-82(144)66(47(6)124)120-78(140)56(27-29-62(93)127)113-77(139)57(30-38-147-8)115-83(145)67(48(7)125)118-70(132)49(91)19-15-34-101-85(95)96/h43-60,65-67,122-125H,9-42,88-91H2,1-8H3,(H2,92,126)(H2,93,127)(H2,94,130)(H,104,128)(H,105,143)(H,106,144)(H,107,133)(H,108,129)(H,109,131)(H,110,136)(H,111,135)(H,112,134)(H,113,139)(H,114,142)(H,115,145)(H,116,138)(H,117,137)(H,118,132)(H,119,141)(H,120,140)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/t44-,45-,46+,47+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-/m0/s1
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| InChIKey |
QVEUNTNKFZRBSH-MMTBNTNUSA-N
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| PubChem Compound ID | ||||
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