Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BOZC84
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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,5S,8S,11S,19S)-5-(4-aminobutyl)-11-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-2-[(2S)-butan-2-yl]-8-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-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 |
CHEMBL3360772; BDBM50048496
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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 |
C96H157N31O26
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)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](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(C)C)CCCCN
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| InChI |
1S/C96H157N31O26/c1-12-49(7)75-91(150)117-57(21-14-16-32-97)81(140)120-63(38-48(5)6)86(145)121-67(89(148)119-62(37-47(3)4)79(138)109-45-72(100)133)42-73(134)106-33-17-15-22-58(82(141)124-75)113-80(139)59(23-18-34-107-95(101)102)114-87(146)64(39-54-26-28-56(130)29-27-54)122-92(151)76(50(8)13-2)125-83(142)60(24-19-35-108-96(103)104)115-88(147)66(41-71(99)132)118-78(137)51(9)111-85(144)65(40-55-44-105-46-110-55)123-93(152)77(52(10)128)126-84(143)61(30-31-70(98)131)116-90(149)69-25-20-36-127(69)94(153)68(43-74(135)136)112-53(11)129/h26-29,44,46-52,57-69,75-77,128,130H,12-25,30-43,45,97H2,1-11H3,(H2,98,131)(H2,99,132)(H2,100,133)(H,105,110)(H,106,134)(H,109,138)(H,111,144)(H,112,129)(H,113,139)(H,114,146)(H,115,147)(H,116,149)(H,117,150)(H,118,137)(H,119,148)(H,120,140)(H,121,145)(H,122,151)(H,123,152)(H,124,141)(H,125,142)(H,126,143)(H,135,136)(H4,101,102,107)(H4,103,104,108)/t49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/m0/s1
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| InChIKey |
ANMULTOHRWPPMI-JIHQQTIGSA-N
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| PubChem Compound ID | ||||
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