Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BN4YS6
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| Binder Name |
(3S)-4-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-Amino-1-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL2370351
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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 |
C52H86N16O17S2
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3)O
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| InChI |
1S/C52H86N16O17S2/c1-25(2)21-32(63-48(81)36-12-7-19-67(36)49(82)30-14-16-38(71)58-30)50(83)68-20-8-11-35(68)47(80)62-31(22-39(72)73)44(77)64-34(24-87)46(79)65-33(23-86)45(78)60-28(10-6-18-57-52(55)56)41(74)61-29(13-15-37(54)70)42(75)59-27(9-4-5-17-53)43(76)66-40(26(3)69)51(84)85/h25-36,40,69,86-87H,4-24,53H2,1-3H3,(H2,54,70)(H,58,71)(H,59,75)(H,60,78)(H,61,74)(H,62,80)(H,63,81)(H,64,77)(H,65,79)(H,66,76)(H,72,73)(H,84,85)(H4,55,56,57)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,40+/m1/s1
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| InChIKey |
IAHPZKSWTMNFTC-YEVFLCJTSA-N
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| PubChem Compound ID | ||||
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