Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BL0Q7A
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| Binder Name |
(4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL3937894
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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 |
C119H179N33O28
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)C
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| InChI |
1S/C119H179N33O28/c1-65(2)55-84(109(172)140-79(40-27-53-131-118(127)128)102(165)134-68(7)100(163)137-76(37-21-24-50-120)104(167)144-83(99(126)162)61-93(124)157)145-106(169)80(41-28-54-132-119(129)130)139-107(170)82(47-49-96(160)161)143-112(175)88(58-72-33-17-11-18-34-72)146-111(174)87(60-74-42-44-75(155)45-43-74)136-95(159)63-133-101(164)85(56-70-29-13-9-14-30-70)148-116(179)97(66(3)4)151-113(176)89(59-73-35-19-12-20-36-73)149-117(180)98(67(5)6)152-114(177)90(62-94(125)158)147-105(168)78(39-23-26-52-122)138-103(166)77(38-22-25-51-121)141-115(178)91(64-153)150-108(171)81(46-48-92(123)156)142-110(173)86(135-69(8)154)57-71-31-15-10-16-32-71/h9-20,29-36,42-45,65-68,76-91,97-98,153,155H,21-28,37-41,46-64,120-122H2,1-8H3,(H2,123,156)(H2,124,157)(H2,125,158)(H2,126,162)(H,133,164)(H,134,165)(H,135,154)(H,136,159)(H,137,163)(H,138,166)(H,139,170)(H,140,172)(H,141,178)(H,142,173)(H,143,175)(H,144,167)(H,145,169)(H,146,174)(H,147,168)(H,148,179)(H,149,180)(H,150,171)(H,151,176)(H,152,177)(H,160,161)(H4,127,128,131)(H4,129,130,132)/t68-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-,98-/m0/s1
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| InChIKey |
MRTJYCLOZYRPFL-QPGRNWMBSA-N
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| PubChem Compound ID | ||||
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