Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1SJ9H
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| Binder Name |
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-piperidin-4-ylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
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| Synonyms |
CHEMBL525431; BDBM50270951
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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 |
C72H107N17O16S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1CCNCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCN=C(N)N)N)O
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| InChI |
1S/C72H107N17O16S2/c1-41(2)32-55(66(100)83-52(36-45-22-24-47(91)25-23-45)69(103)89-31-15-21-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(33-43-16-10-8-11-17-43)82-63(97)50(35-46-26-29-76-30-27-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(34-44-18-12-9-13-19-44)81-61(95)48(73)20-14-28-77-71(74)75/h8-13,16-19,22-25,41-42,46,48-55,59-60,76,90-91,106-107H,14-15,20-21,26-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1
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| InChIKey |
BMLIWXUJOHYWPK-OFRDJWLHSA-N
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| PubChem Compound ID | ||||
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