Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BFHO50
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| Binder Name |
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL4085518
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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 |
C59H97N23O26
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O
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| InChI |
1S/C59H97N23O26/c1-27(2)15-34(56(106)82-14-6-9-36(82)54(104)79-31(10-11-45(93)94)51(101)81-48(28(3)84)55(105)73-21-40(88)70-23-42(90)77-35(26-83)57(107)108)80-53(103)33(17-47(97)98)76-44(92)25-72-50(100)30(8-5-13-66-59(63)64)78-52(102)32(16-46(95)96)75-43(91)24-71-49(99)29(7-4-12-65-58(61)62)74-41(89)22-69-39(87)20-68-38(86)19-67-37(85)18-60/h27-36,48,83-84H,4-26,60H2,1-3H3,(H,67,85)(H,68,86)(H,69,87)(H,70,88)(H,71,99)(H,72,100)(H,73,105)(H,74,89)(H,75,91)(H,76,92)(H,77,90)(H,78,102)(H,79,104)(H,80,103)(H,81,101)(H,93,94)(H,95,96)(H,97,98)(H,107,108)(H4,61,62,65)(H4,63,64,66)/t28-,29+,30+,31+,32+,33+,34+,35+,36+,48+/m1/s1
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| InChIKey |
OTPJHCLEDMTCQA-NMYCIVIXSA-N
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| PubChem Compound ID | ||||
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