Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1BP5G
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| Binder Name |
(4S)-5-Amino-4-[[(2S)-2-[[(2S,4S)-4-[(Z)-benzylideneamino]oxy-1-[1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-1-[5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]piperidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL251891; BDBM50230468
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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 |
C76H91N13O23S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)O/N=C\\C3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CCCCNC(=S)NC6=CC7=C(C=C6)C(=O)OC78C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O)O
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| InChI |
1S/C76H91N13O23S/c1-40(71(106)88-31-9-7-14-56(88)73(108)89-39-46(112-79-38-42-12-4-3-5-13-42)37-57(89)69(104)83-52(25-28-62(96)97)66(101)82-51(65(77)100)24-27-61(94)95)80-70(105)64(41(2)90)85-68(103)55-16-11-33-87(55)72(107)53(26-29-63(98)99)84-67(102)54-15-10-32-86(54)60(93)17-6-8-30-78-75(113)81-43-18-21-47-50(34-43)76(111-74(47)109)48-22-19-44(91)35-58(48)110-59-36-45(92)20-23-49(59)76/h3-5,12-13,18-23,34-36,38,40-41,46,51-57,64,90-92H,6-11,14-17,24-33,37,39H2,1-2H3,(H2,77,100)(H,80,105)(H,82,101)(H,83,104)(H,84,102)(H,85,103)(H,94,95)(H,96,97)(H,98,99)(H2,78,81,113)/b79-38-/t40-,41+,46-,51-,52-,53-,54-,55-,56?,57-,64-/m0/s1
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| InChIKey |
QNZDLQZIBLEULD-SCQBHYGXSA-N
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| PubChem Compound ID | ||||
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