Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQIH06
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
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| Synonyms |
CHEMBL2332611; BDBM50431217
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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 |
C59H93N17O19S3
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)O
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| InChI |
1S/C59H93N17O19S3/c1-27(2)21-37(58(94)95)70-52(88)39(25-97)72-50(86)35(22-31-12-14-32(78)15-13-31)69-55(91)45(30(5)77)74-48(84)33(16-17-43(61)79)66-53(89)41-10-8-20-76(41)57(93)40(26-98)73-54(90)42-11-7-19-75(42)56(92)34(9-6-18-64-59(62)63)67-47(83)29(4)65-49(85)36(23-44(80)81)68-51(87)38(24-96)71-46(82)28(3)60/h12-15,27-30,33-42,45,77-78,96-98H,6-11,16-26,60H2,1-5H3,(H2,61,79)(H,65,85)(H,66,89)(H,67,83)(H,68,87)(H,69,91)(H,70,88)(H,71,82)(H,72,86)(H,73,90)(H,74,84)(H,80,81)(H,94,95)(H4,62,63,64)/t28-,29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1
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| InChIKey |
CPGAVJUCCDNHKB-JHDDENTRSA-N
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| PubChem Compound ID | ||||
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