Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5B8QT
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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)-5-carbamimidamido-2-[(2-hydroxyacetyl)amino]pentanoyl]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 |
CHEMBL4081282
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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 |
C89H162N34O27S
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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)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](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CO)O
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| InChI |
1S/C89H162N34O27S/c1-44(2)39-59(70(95)134)118-77(141)56(26-28-62(93)129)114-73(137)52(20-10-13-32-91)112-75(139)55(24-17-36-104-89(100)101)116-82(146)61-25-18-37-123(61)86(150)46(4)108-72(136)50(19-9-12-31-90)109-65(132)41-105-64(131)40-106-83(147)67(47(5)126)120-81(145)60(42-124)119-76(140)53(21-11-14-33-92)113-74(138)54(23-16-35-103-88(98)99)111-71(135)45(3)107-84(148)68(48(6)127)121-80(144)57(27-29-63(94)130)115-78(142)58(30-38-151-8)117-85(149)69(49(7)128)122-79(143)51(110-66(133)43-125)22-15-34-102-87(96)97/h44-61,67-69,124-128H,9-43,90-92H2,1-8H3,(H2,93,129)(H2,94,130)(H2,95,134)(H,105,131)(H,106,147)(H,107,148)(H,108,136)(H,109,132)(H,110,133)(H,111,135)(H,112,139)(H,113,138)(H,114,137)(H,115,142)(H,116,146)(H,117,149)(H,118,141)(H,119,140)(H,120,145)(H,121,144)(H,122,143)(H4,96,97,102)(H4,98,99,103)(H4,100,101,104)/t45-,46-,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,67-,68-,69-/m0/s1
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| InChIKey |
URFOLMXVFKHJSD-CQTFBRCBSA-N
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| PubChem Compound ID | ||||
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