Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8DQ6K
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| Binder Name |
(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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| Synonyms |
CHEMBL3360762; BDBM50048491
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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 |
C93H154N30O25S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)C
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| InChI |
1S/C93H154N30O25S/c1-13-48(7)73(88(145)115-56(20-15-16-31-94)80(137)117-62(37-47(5)6)78(135)106-44-71(130)110-61(36-46(3)4)77(134)105-43-70(97)129)121-83(140)60(30-35-149-12)113-79(136)57(21-17-32-103-92(98)99)111-85(142)63(38-53-24-26-55(126)27-25-53)118-89(146)74(49(8)14-2)120-81(138)58(22-18-33-104-93(100)101)112-86(143)65(40-69(96)128)116-76(133)50(9)108-84(141)64(39-54-42-102-45-107-54)119-90(147)75(51(10)124)122-82(139)59(28-29-68(95)127)114-87(144)67-23-19-34-123(67)91(148)66(41-72(131)132)109-52(11)125/h24-27,42,45-51,56-67,73-75,124,126H,13-23,28-41,43-44,94H2,1-12H3,(H2,95,127)(H2,96,128)(H2,97,129)(H,102,107)(H,105,134)(H,106,135)(H,108,141)(H,109,125)(H,110,130)(H,111,142)(H,112,143)(H,113,136)(H,114,144)(H,115,145)(H,116,133)(H,117,137)(H,118,146)(H,119,147)(H,120,138)(H,121,140)(H,122,139)(H,131,132)(H4,98,99,103)(H4,100,101,104)/t48-,49-,50-,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
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| InChIKey |
KGMRJPQRMNIYMA-NITITCHZSA-N
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| PubChem Compound ID | ||||
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