Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B16ZIJ
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| Binder Name |
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[4-[[(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-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]phenyl]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
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| Synonyms |
CHEMBL508454; BDBM50270956
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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 |
C72H97N17O15S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCN=C(N)N)N)O
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| InChI |
1S/C72H97N17O15S2/c1-40(2)30-50(63(96)85-54(33-44-22-26-48(91)27-23-44)69(102)89-29-13-19-56(89)66(99)86-55(38-105)70(103)104)81-57(92)34-45-20-24-46(25-21-45)80-62(95)51(31-42-14-8-6-9-15-42)84-64(97)53(35-47-36-76-39-79-47)82-58(93)37-78-67(100)59(41(3)90)87-68(101)60(72(4,5)106)88-65(98)52(32-43-16-10-7-11-17-43)83-61(94)49(73)18-12-28-77-71(74)75/h6-11,14-17,20-27,36,39-41,49-56,59-60,90-91,105-106H,12-13,18-19,28-35,37-38,73H2,1-5H3,(H,76,79)(H,78,100)(H,80,95)(H,81,92)(H,82,93)(H,83,94)(H,84,97)(H,85,96)(H,86,99)(H,87,101)(H,88,98)(H,103,104)(H4,74,75,77)/t41-,49+,50+,51+,52+,53+,54+,55+,56+,59+,60-/m1/s1
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| InChIKey |
NDAIQYAGFBBXJJ-YNESVYEZSA-N
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| PubChem Compound ID | ||||
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