Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK29IB
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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)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL3940637
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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 |
C115H172N28O26
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)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/C115H172N28O26/c1-64(2)54-82(105(160)131-79(41-29-53-124-115(122)123)100(155)126-68(9)98(153)129-76(97(121)152)38-23-26-50-116)136-106(161)83(55-65(3)4)135-103(158)81(47-49-94(150)151)134-109(164)87(58-72-34-19-13-20-35-72)137-108(163)86(60-74-42-44-75(146)45-43-74)128-93(149)62-125-99(154)84(56-70-30-15-11-16-31-70)139-113(168)95(66(5)6)142-110(165)88(59-73-36-21-14-22-37-73)140-114(169)96(67(7)8)143-111(166)89(61-92(120)148)138-102(157)78(40-25-28-52-118)130-101(156)77(39-24-27-51-117)132-112(167)90(63-144)141-104(159)80(46-48-91(119)147)133-107(162)85(127-69(10)145)57-71-32-17-12-18-33-71/h11-22,30-37,42-45,64-68,76-90,95-96,144,146H,23-29,38-41,46-63,116-118H2,1-10H3,(H2,119,147)(H2,120,148)(H2,121,152)(H,125,154)(H,126,155)(H,127,145)(H,128,149)(H,129,153)(H,130,156)(H,131,160)(H,132,167)(H,133,162)(H,134,164)(H,135,158)(H,136,161)(H,137,163)(H,138,157)(H,139,168)(H,140,169)(H,141,159)(H,142,165)(H,143,166)(H,150,151)(H4,122,123,124)/t68-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,95-,96-/m0/s1
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| InChIKey |
CYHCBMFBVJKNPW-ABMOCCIYSA-N
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| PubChem Compound ID | ||||
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