Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BL8KD4
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Synonyms |
CHEMBL2332612; BDBM50431215
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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 |
C58H93N21O19S3
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)N
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| InChI |
1S/C58H93N21O19S3/c1-27(68-46(87)34(21-43(61)84)72-51(92)37(24-99)75-45(86)30(59)14-15-42(60)83)44(85)69-31(6-2-16-66-57(62)63)54(95)78-18-4-9-41(78)53(94)77-39(26-101)55(96)79-19-5-8-40(79)52(93)74-36(23-81)49(90)73-35(22-80)48(89)71-33(20-28-10-12-29(82)13-11-28)47(88)76-38(25-100)50(91)70-32(56(97)98)7-3-17-67-58(64)65/h10-13,27,30-41,80-82,99-101H,2-9,14-26,59H2,1H3,(H2,60,83)(H2,61,84)(H,68,87)(H,69,85)(H,70,91)(H,71,89)(H,72,92)(H,73,90)(H,74,93)(H,75,86)(H,76,88)(H,77,94)(H,97,98)(H4,62,63,66)(H4,64,65,67)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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| InChIKey |
KWPCGMJHVHARPJ-LFSSYAHASA-N
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| PubChem Compound ID | ||||
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