Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L4ISE0
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| Ligand Name |
N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-(3-methylphenyl)-6-oxo-5-(quinolin-8-ylmethylamino)pyrimidin-1-yl]acetamide
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| Structure |
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Download2D MOL |
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| Formula |
C32H33N9O3S
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| Canonical SMILES |
CC1=CC(=CC=C1)C2=NC=C(C(=O)N2CC(=O)NC(CCCN=C(N)N)C(=O)C3=NC=CS3)NCC4=CC=CC5=C4N=CC=C5
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| InChI |
1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1
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| InChIKey |
BWWLNFRQHXSLCW-DEOSSOPVSA-N
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| PubChem Compound ID | ||||
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