Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1QIP0
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| Binder Name |
(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-5-Carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-(2-acetamidoacetamido)pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL437388; BDBM50204355
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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 |
C41H66N14O12S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C)O
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| InChI |
1S/C41H66N14O12S/c1-21(56)31(36(63)52-28(20-68)34(61)51-27(39(66)67)18-24-10-5-4-6-11-24)54-37(64)32(22(2)57)53-33(60)25(12-7-15-46-40(42)43)50-35(62)29-14-9-17-55(29)38(65)26(13-8-16-47-41(44)45)49-30(59)19-48-23(3)58/h4-6,10-11,21-22,25-29,31-32,56-57,68H,7-9,12-20H2,1-3H3,(H,48,58)(H,49,59)(H,50,62)(H,51,61)(H,52,63)(H,53,60)(H,54,64)(H,66,67)(H4,42,43,46)(H4,44,45,47)/t21-,22-,25+,26+,27+,28+,29+,31+,32+/m1/s1
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| InChIKey |
PUNGKDHAMFXRBY-BASYDWIBSA-N
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| PubChem Compound ID | ||||
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