Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BUL5R9
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| Binder Name |
(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL3132997
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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 |
C112H175N31O34S4
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)N
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| InChI |
1S/C112H175N31O34S4/c1-10-55(6)89(143-107(172)79(52-181)140-102(167)73(42-60-24-15-12-16-25-60)135-100(165)71(40-53(2)3)133-97(162)68(32-36-85(150)151)129-105(170)78(51-180)139-101(166)72(41-59-22-13-11-14-23-59)134-96(161)66(29-21-39-120-112(118)119)127-93(158)63(114)44-82(117)147)110(175)131-67(30-34-80(115)145)94(159)122-48-84(149)141-90(58(9)144)108(173)123-47-83(148)126-75(45-87(154)155)103(168)142-88(54(4)5)109(174)130-65(28-19-20-38-113)95(160)124-56(7)91(156)137-76(49-178)104(169)128-69(33-37-86(152)153)98(163)136-74(43-61-46-121-64-27-18-17-26-62(61)64)99(164)125-57(8)92(157)138-77(50-179)106(171)132-70(111(176)177)31-35-81(116)146/h11,13-14,17-18,22-23,26-27,46,53-58,60,63,65-79,88-90,121,144,178-181H,10,12,15-16,19-21,24-25,28-45,47-52,113-114H2,1-9H3,(H2,115,145)(H2,116,146)(H2,117,147)(H,122,159)(H,123,173)(H,124,160)(H,125,164)(H,126,148)(H,127,158)(H,128,169)(H,129,170)(H,130,174)(H,131,175)(H,132,171)(H,133,162)(H,134,161)(H,135,165)(H,136,163)(H,137,156)(H,138,157)(H,139,166)(H,140,167)(H,141,149)(H,142,168)(H,143,172)(H,150,151)(H,152,153)(H,154,155)(H,176,177)(H4,118,119,120)/t55-,56-,57-,58+,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-,89-,90-/m0/s1
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| InChIKey |
HZTBXPRJQFLRJW-ZBPOHSSTSA-N
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| PubChem Compound ID | ||||
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