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Q6Y : Summary
Code
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Q6Y
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One-letter code
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X
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Molecule name
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~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
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Systematic names
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Formula
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C26 H33 N7 O2
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Formal charge
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0
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Molecular weight
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475.586 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3c(C)c(NC(=O)c4cnc(C)nc4)cn5ccnc35 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(cn2ccnc2c1CN3CCN(C(C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H]1CN(CCN1C(=O)C2CCCC2)Cc3c(C)c(NC(=O)c4cnc(C)nc4)cn5ccnc35 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C |
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IUPAC InChI | InChI=1S/C26H33N7O2/c1-17-14-31(10-11-33(17)26(35)20-6-4-5-7-20)15-22-18(2)23(16-32-9-8-27-24(22)32)30-25(34)21-12-28-19(3)29-13-21/h8-9,12-13,16-17,20H,4-7,10-11,14-15H2,1-3H3,(H,30,34)/t17-/m0/s1 |
IUPAC InChI key | GMRCLEMCHGYDSY-KRWDZBQOSA-N |
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wwPDB Information |
Atom count
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68 (35 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2016-10-31
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Last modified at
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2016-12-09
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Status
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Released
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Obsoleted
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Not Assigned
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