Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B95CXI
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| Binder Name |
(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-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-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]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]-6-[(2-hydroxyacetyl)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 |
CHEMBL4081041
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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 |
C94H169N35O30S
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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](CCCCNC(=O)CO)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)[C@H](C)NC(=O)CO)O
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| InChI |
1S/C94H169N35O30S/c1-46(2)40-62(74(99)142)124-82(150)59(27-29-65(97)136)120-78(146)54(20-10-13-32-95)118-80(148)57(24-17-36-108-93(102)103)122-87(155)64-26-19-38-129(64)91(159)49(5)114-77(145)53(22-12-15-34-106-69(140)44-131)115-68(139)42-110-67(138)41-111-88(156)71(50(6)133)126-86(154)63(43-130)125-81(149)55(21-11-14-33-96)119-79(147)56(23-16-35-107-92(100)101)116-76(144)48(4)113-89(157)72(51(7)134)127-85(153)60(28-30-66(98)137)121-83(151)61(31-39-160-9)123-90(158)73(52(8)135)128-84(152)58(25-18-37-109-94(104)105)117-75(143)47(3)112-70(141)45-132/h46-64,71-73,130-135H,10-45,95-96H2,1-9H3,(H2,97,136)(H2,98,137)(H2,99,142)(H,106,140)(H,110,138)(H,111,156)(H,112,141)(H,113,157)(H,114,145)(H,115,139)(H,116,144)(H,117,143)(H,118,148)(H,119,147)(H,120,146)(H,121,151)(H,122,155)(H,123,158)(H,124,150)(H,125,149)(H,126,154)(H,127,153)(H,128,152)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,71-,72-,73-/m0/s1
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| InChIKey |
GBWIWLKIKKQCJS-APCKIFGFSA-N
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| PubChem Compound ID | ||||
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