Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK8RA5
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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,5S,8S,11S,19S)-11-[[(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]carbamoyl]-5-(3-carbamimidamidopropyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-methylsulfanylethyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-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 |
CHEMBL3360771; BDBM50048495
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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 |
C91H147N31O26S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CC=C(C=C3)O)CCCNC(=N)N)CCSC)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](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)C)O
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| InChI |
1S/C91H147N31O26S/c1-45(2)34-59(75(134)104-42-69(95)128)109-71(130)43-105-76(135)60(35-46(3)4)117-79(138)53(16-9-11-28-92)111-86(145)64-39-70(129)101-29-12-10-17-54(80(139)118-61(36-50-21-23-52(125)24-22-50)84(143)112-56(19-14-31-103-91(98)99)78(137)114-58(27-33-149-8)81(140)119-64)110-77(136)55(18-13-30-102-90(96)97)113-85(144)63(38-68(94)127)116-74(133)47(5)107-83(142)62(37-51-41-100-44-106-51)120-88(147)73(48(6)123)121-82(141)57(25-26-67(93)126)115-87(146)66-20-15-32-122(66)89(148)65(40-72(131)132)108-49(7)124/h21-24,41,44-48,53-66,73,123,125H,9-20,25-40,42-43,92H2,1-8H3,(H2,93,126)(H2,94,127)(H2,95,128)(H,100,106)(H,101,129)(H,104,134)(H,105,135)(H,107,142)(H,108,124)(H,109,130)(H,110,136)(H,111,145)(H,112,143)(H,113,144)(H,114,137)(H,115,146)(H,116,133)(H,117,138)(H,118,139)(H,119,140)(H,120,147)(H,121,141)(H,131,132)(H4,96,97,102)(H4,98,99,103)/t47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-/m0/s1
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| InChIKey |
WGZRLKFRQOSRGV-HZMZHBQWSA-N
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| PubChem Compound ID | ||||
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