Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6EC2Z
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| Binder Name |
(2S,8S,11S,19S)-19-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Acetamido-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-2,8-bis(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxylic acid
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| Synonyms |
CHEMBL3360773; BDBM50048497
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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 |
C95H153N29O27S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CC(C)C)CC(C)C)C(=O)O)NC(=O)[C@H](CCSC)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
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| InChI |
1S/C95H153N29O27S/c1-13-48(7)74(89(146)115-56-20-15-16-31-103-71(130)41-67(93(150)151)120-85(142)62(37-47(5)6)110-72(131)44-106-78(135)61(36-46(3)4)117-80(56)137)122-83(140)60(30-35-152-12)113-79(136)57(21-17-32-104-94(98)99)111-86(143)63(38-53-24-26-55(127)27-25-53)118-90(147)75(49(8)14-2)121-81(138)58(22-18-33-105-95(100)101)112-87(144)65(40-70(97)129)116-77(134)50(9)108-84(141)64(39-54-43-102-45-107-54)119-91(148)76(51(10)125)123-82(139)59(28-29-69(96)128)114-88(145)68-23-19-34-124(68)92(149)66(42-73(132)133)109-52(11)126/h24-27,43,45-51,56-68,74-76,125,127H,13-23,28-42,44H2,1-12H3,(H2,96,128)(H2,97,129)(H,102,107)(H,103,130)(H,106,135)(H,108,141)(H,109,126)(H,110,131)(H,111,143)(H,112,144)(H,113,136)(H,114,145)(H,115,146)(H,116,134)(H,117,137)(H,118,147)(H,119,148)(H,120,142)(H,121,138)(H,122,140)(H,123,139)(H,132,133)(H,150,151)(H4,98,99,104)(H4,100,101,105)/t48-,49-,50-,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1
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| InChIKey |
VHFKAWASXOLGSC-MNVGPOKXSA-N
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| PubChem Compound ID | ||||
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