Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BT28AR
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791377; BDBM50370733
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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 |
C45H62N10O10S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)N=C(N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CS)NC(=O)C
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| InChI |
1S/C45H62N10O10S/c1-4-25(2)38(55-42(62)37(24-66)49-26(3)56)43(63)53-35(22-28-10-16-31(57)17-11-28)40(60)51-33(7-5-6-20-46)39(59)52-34(21-27-8-14-30(15-9-27)50-45(47)48)41(61)54-36(44(64)65)23-29-12-18-32(58)19-13-29/h8-19,25,33-38,57-58,66H,4-7,20-24,46H2,1-3H3,(H,49,56)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H,55,62)(H,64,65)(H4,47,48,50)/t25-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
QUGCJWIPGGSWSV-ZRUDDMCFSA-N
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| PubChem Compound ID | ||||
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