Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B70LRJ
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| Binder Name |
(2S)-1-[2-[[(2S)-4-Amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxy-2-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
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| Synonyms |
CHEMBL499946; BDBM50270936
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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 |
C84H119N25O24S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=C(C=C(C=C3)O)[N+](=O)[O-])C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N5CCC[C@H]5C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)N)O
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| InChI |
1S/C84H119N25O24S2/c1-43(2)29-52(74(122)103-57(32-47-22-23-49(111)34-61(47)109(132)133)81(129)108-28-13-20-59(108)78(126)104-58(41-134)77(125)102-56(35-63(87)113)72(120)95-40-67(117)107-27-14-21-60(107)82(130)131)97-65(115)38-92-64(114)37-93-71(119)53(30-45-15-8-6-9-16-45)100-75(123)55(33-48-36-90-42-96-48)98-66(116)39-94-79(127)68(44(3)110)105-80(128)69(84(4,5)135)106-76(124)54(31-46-17-10-7-11-18-46)101-73(121)51(19-12-26-91-83(88)89)99-70(118)50(85)24-25-62(86)112/h6-11,15-18,22-23,34,36,42-44,50-60,68-69,110-111,134-135H,12-14,19-21,24-33,35,37-41,85H2,1-5H3,(H2,86,112)(H2,87,113)(H,90,96)(H,92,114)(H,93,119)(H,94,127)(H,95,120)(H,97,115)(H,98,116)(H,99,118)(H,100,123)(H,101,121)(H,102,125)(H,103,122)(H,104,126)(H,105,128)(H,106,124)(H,130,131)(H4,88,89,91)/t44-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,68+,69-/m1/s1
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| InChIKey |
ZLYXKCBJPGWFOO-NUXZCYAQSA-N
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| PubChem Compound ID | ||||
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