Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BMVS41
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]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 |
CHEMBL2336581
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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 |
C63H90N16O17
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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](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CO)N
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| InChI |
1S/C63H90N16O17/c1-31(2)23-45(76-59(92)48(75-55(88)42(64)29-80)26-38-27-68-43-12-9-8-11-41(38)43)56(89)72-35(7)53(86)74-46(24-36-14-18-39(82)19-15-36)57(90)71-33(5)52(85)69-28-50(84)70-34(6)54(87)79-51(32(3)4)61(94)78-49(30-81)60(93)77-47(25-37-16-20-40(83)21-17-37)58(91)73-44(62(95)96)13-10-22-67-63(65)66/h8-9,11-12,14-21,27,31-35,42,44-49,51,68,80-83H,10,13,22-26,28-30,64H2,1-7H3,(H,69,85)(H,70,84)(H,71,90)(H,72,89)(H,73,91)(H,74,86)(H,75,88)(H,76,92)(H,77,93)(H,78,94)(H,79,87)(H,95,96)(H4,65,66,67)/t33-,34-,35-,42-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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| InChIKey |
GERHXZONWNKXBJ-HCKCVTJTSA-N
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| PubChem Compound ID | ||||
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