2024-04-20_00000209
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ligand
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8RRQ
Crystal structure of human SYK in complex with compound 24;
X-ray diffraction 1.60Å
Protein #1
282 residues (95% resolved)
Raw Sequence ...
GPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADEN(PTR)(PTR)KAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVN
Canonical Sequence ...
GPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVN
Non polymer #2
A1H2W
InChI=1S/C23H29N7O/c1-14-10-15(2)12-16(11-14)26-23-25-9-8-19(28-23)20-13-21(30(3)29-20)22(31)27-18-7-5-4-6-17(18)24/h8-13,17-18H,4-7,24H2,1-3H3,(H,27,31)(H,25,26,28)/t17-,18+/m1/s1
InChI=1S/C23H29N7O/c1-14-10-15(2)12-16(11-14)26-23-25-9-8-19(28-23)20-13-21(30(3)29-20)22(31)27-18-7-5-4-6-17(18)24/h8-13,17-18H,4-7,24H2,1-3H3,(H,27,31)(H,25,26,28)/t17-,18+/m1/s1
SMILES: Cc1cc(cc(c1)Nc2nccc(n2)c3cc(n(n3)C)C(=O)N[C@H]4CCCC[C@H]4N)C
Cc1cc(cc(c1)Nc2nccc(n2)c3cc(n(n3)C)C(=O)N[C@H]4CCCC[C@H]4N)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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