Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0KTY2
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| Ligand Name |
ERK1/2 inhibitor 1
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| Synonyms |
ERK1/2 inhibitor 1; CHEMBL4212211; 2095719-90-5; (2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide; (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide; GTPL9973; SCHEMBL18766105; BDBM50456348; compound 27 [PMID: 29775310]; HY-112287; CS-0044721; ESN
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| Structure |
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Download2D MOL |
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| Formula |
C29H32ClN5O4
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| Canonical SMILES |
CC1=CC(=CC=C1)C(CO)NC(=O)C(C)N2CC3=C(C2=O)C=C(C=C3)C4=NC(=NC=C4Cl)NC5CCOCC5
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| InChI |
1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1
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| InChIKey |
XHOJEECXVUMYMF-IQGLISFBSA-N
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| PubChem Compound ID | ||||
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