Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B4FRJ0
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Synonyms |
CHEMBL2336579; BDBM50428231
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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 |
C65H92N16O18
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CO)N
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| InChI |
1S/C65H92N16O18/c1-33(2)24-45(75-58(92)47(74-55(89)42(66)30-82)27-38-28-70-43-11-7-6-10-41(38)43)56(90)78-49(31-83)60(94)77-48(26-37-16-20-40(86)21-17-37)63(97)81-23-9-13-51(81)61(95)71-29-52(87)72-35(5)54(88)80-53(34(3)4)62(96)79-50(32-84)59(93)76-46(25-36-14-18-39(85)19-15-36)57(91)73-44(64(98)99)12-8-22-69-65(67)68/h6-7,10-11,14-21,28,33-35,42,44-51,53,70,82-86H,8-9,12-13,22-27,29-32,66H2,1-5H3,(H,71,95)(H,72,87)(H,73,91)(H,74,89)(H,75,92)(H,76,93)(H,77,94)(H,78,90)(H,79,96)(H,80,88)(H,98,99)(H4,67,68,69)/t35-,42-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
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| InChIKey |
WWZYULTXBCYKDI-GBZWJNKPSA-N
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| PubChem Compound ID | ||||
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