Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BM29OD
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| Binder Name |
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
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| Synonyms |
CHEMBL525232; BDBM50270953
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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 |
C67H98N16O16S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCN=C(N)N)N)O
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| InChI |
1S/C67H98N16O16S2/c1-37(2)29-50(61(94)77-47(32-42-23-25-43(85)26-24-42)64(97)83-28-16-22-49(83)60(93)78-48(36-100)65(98)99)82(8)53(88)35-81(7)52(87)34-73-58(91)45(30-40-17-11-9-12-18-40)75-56(89)38(3)74-51(86)33-72-62(95)54(39(4)84)79-63(96)55(67(5,6)101)80-59(92)46(31-41-19-13-10-14-20-41)76-57(90)44(68)21-15-27-71-66(69)70/h9-14,17-20,23-26,37-39,44-50,54-55,84-85,100-101H,15-16,21-22,27-36,68H2,1-8H3,(H,72,95)(H,73,91)(H,74,86)(H,75,89)(H,76,90)(H,77,94)(H,78,93)(H,79,96)(H,80,92)(H,98,99)(H4,69,70,71)/t38-,39+,44-,45-,46-,47-,48-,49-,50-,54-,55+/m0/s1
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| InChIKey |
PLTHUPZHFFCLIW-SFICEKSFSA-N
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| PubChem Compound ID | ||||
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