Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B0HDE2
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[(2-Aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL2332613; BDBM50431224
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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 |
C60H90N16O16S4
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| Canonical SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)CN
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| InChI |
1S/C60H90N16O16S4/c1-32(2)48(56(88)71-40(28-77)51(83)69-38(24-34-15-17-35(78)18-16-34)50(82)72-42(30-94)53(85)70-39(59(91)92)25-33-10-5-4-6-11-33)74-55(87)45-14-9-22-76(45)58(90)43(31-95)73-54(86)44-13-8-21-75(44)57(89)37(12-7-20-64-60(62)63)66-47(80)27-65-49(81)36(19-23-96-3)68-52(84)41(29-93)67-46(79)26-61/h4-6,10-11,15-18,32,36-45,48,77-78,93-95H,7-9,12-14,19-31,61H2,1-3H3,(H,65,81)(H,66,80)(H,67,79)(H,68,84)(H,69,83)(H,70,85)(H,71,88)(H,72,82)(H,73,86)(H,74,87)(H,91,92)(H4,62,63,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,48-/m0/s1
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| InChIKey |
TVDLVAIMVYHXBW-UKBPAYCISA-N
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| PubChem Compound ID | ||||
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