Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BSR9Q4
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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-nitrophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
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| Synonyms |
CHEMBL502881; BDBM50270935
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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 |
C84H119N25O23S2
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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=CC=C(C=C3)[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/C84H119N25O23S2/c1-44(2)31-53(74(121)103-58(34-48-22-24-50(25-23-48)109(131)132)81(128)108-30-13-20-60(108)78(125)104-59(42-133)77(124)102-57(36-63(87)112)72(119)95-41-67(116)107-29-14-21-61(107)82(129)130)97-65(114)39-92-64(113)38-93-71(118)54(32-46-15-8-6-9-16-46)100-75(122)56(35-49-37-90-43-96-49)98-66(115)40-94-79(126)68(45(3)110)105-80(127)69(84(4,5)134)106-76(123)55(33-47-17-10-7-11-18-47)101-73(120)52(19-12-28-91-83(88)89)99-70(117)51(85)26-27-62(86)111/h6-11,15-18,22-25,37,43-45,51-61,68-69,110,133-134H,12-14,19-21,26-36,38-42,85H2,1-5H3,(H2,86,111)(H2,87,112)(H,90,96)(H,92,113)(H,93,118)(H,94,126)(H,95,119)(H,97,114)(H,98,115)(H,99,117)(H,100,122)(H,101,120)(H,102,124)(H,103,121)(H,104,125)(H,105,127)(H,106,123)(H,129,130)(H4,88,89,91)/t45-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,68+,69-/m1/s1
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| InChIKey |
QCYCZNCBJZLWSN-JFFCSCEESA-N
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| PubChem Compound ID | ||||
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