Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BQO2M4
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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-(1H-pyrrol-3-yl)propanoyl]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 |
CHEMBL510720; BDBM50270949
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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 |
C71H101N17O16S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC=C1)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/C71H101N17O16S2/c1-40(2)30-54(65(99)82-51(33-44-22-24-46(90)25-23-44)68(102)88-29-15-21-53(88)64(98)83-52(39-105)69(103)104)87(7)57(93)38-86(6)56(92)37-78-61(95)48(31-42-16-10-8-11-17-42)81-62(96)49(34-45-26-28-75-35-45)79-55(91)36-77-66(100)58(41(3)89)84-67(101)59(71(4,5)106)85-63(97)50(32-43-18-12-9-13-19-43)80-60(94)47(72)20-14-27-76-70(73)74/h8-13,16-19,22-26,28,35,40-41,47-54,58-59,75,89-90,105-106H,14-15,20-21,27,29-34,36-39,72H2,1-7H3,(H,77,100)(H,78,95)(H,79,91)(H,80,94)(H,81,96)(H,82,99)(H,83,98)(H,84,101)(H,85,97)(H,103,104)(H4,73,74,76)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/m1/s1
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| InChIKey |
NGAVDNSZVZELRG-PMHNZZKJSA-N
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| PubChem Compound ID | ||||
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