Structure of PDB 5urm Chain B Binding Site BS01 |
| >5urm Chain B (length=1691) Species: 9606 (Homo sapiens)
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APRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALKPK
PFGSLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLCAPTG
AGKTNVALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMVGSFG
KRLATYGITVAELTGDHQLCKEEISATQIIVCTPEKWDIITRKGGERTYT
QLVRLIILDEIHLLHDDRGPVLEALVARAIRNIEMTQEDVRLIGLSATLP
NYEDVATFLRVDPAKGLFYFDNSFRPVPLEQTYVGITEKKAIKRFQIMNE
IVYEKIMEHQVLVFVHSRKETGKTARAIRDMCLEKDTLGLFLREEVLRTE
AEQCKNLELKDLLPFAIHHAGMTRVDRTLVEDLFADKHIQVLVSTATLAW
GVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQMLGRAGRPQYDTKGEG
ILITSHGELQYYLSLLNQQLPIESQMVSKLPDMLNAEIVLGNVQNAKDAV
NWLGYAYLYIRMLRSPTLYGISHDDLKGDPLLDQRRLDLVHTAALMLDKN
NLVKYDKKTGNFQVTELGRIASHYYITNDTVQTYNQLLKPTLSEIELFRV
FSLSSEFKNITVREEEKLELQKLLERVPIPVKESIEEPSAKINVLLQAFI
SQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNRGWAQLTDKTLNLCKM
IDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFERLYDLNHNEIGELIRM
PKMGKTIHKYVHLFPKLELSVHLQPITRSTLKVELTITPDFQWDEKVHGS
SEAFWILVEDVDSEVILHHEYFLLKAKYAQDEHLITFFVPVFEPLPPQYF
IRVVSDRWLSCETQLPVSFRHLILPEKYPPPTELLDLQPLPVSALRNSAF
ESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTICAEFAILRM
LLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLNKKVVLLTGETSTDLK
LLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIGGENGPVL
EVICSRMRYISSQIERPIRIVALSSSLSNAKDVAHWLGCSATSTFNFHPN
VRPVPLELHIQGFNISHTQTRLLSMAKPVYHAITKHSPKKPVIVFVPSRK
QTRLTAIDILTTCAADIQRQRFLHCTEKDLIPYLEKLSDSTLKETLLNGV
GYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCWGMNVAAHLVIIMDTQ
YYNGKIHAYVDYPIYDVLQMVGHANRPLQDDEGRCVIMCQGSKKDFFKKF
LYEPLPVESHLDHCMHDHFNAEIVTKTIENKQDAVDYLTWTFLYRRMTQN
PNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCISIEDEMDVAPLNLGM
IAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNAAEYENIPIRHHEDNL
LRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRMQLSAELQSDTEEILS
KAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQAMWSKDSYLKQLPHFT
SVFDIMEMEDEERNLTDSQIADVARFCNRYPNIELSYEVVDKDSIRSGGP
VVVLVQLEREEEVTGPVIAPLFPQKREEGWWVVIGDAKSNSLISIKRLTL
QQKAKVKLDFVAPATGAHNYTLYFMSDAYMGCDQEYKFSVD |
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| Ligand ID | 8LV |
| InChI | InChI=1S/C23H24N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-11,13,21,26H,1-3,5-6,12,24H2,(H,29,30)/t21-/m1/s1 |
| InChIKey | HSMUYTKNVZBPLA-OAQYLSRUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | NC1=C(Cc2oc(cc2)c3cccc(c3)C(O)=O)C(=O)N=C4S[C@@H](NN14)C5CCCCC5 | | ACDLabs 12.01 | c1(C(O)=O)cccc(c1)c5oc(CC=3C(N=C4SC(C2CCCCC2)NN4C=3N)=O)cc5 | | CACTVS 3.385 | NC1=C(Cc2oc(cc2)c3cccc(c3)C(O)=O)C(=O)N=C4S[CH](NN14)C5CCCCC5 | | OpenEye OEToolkits 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)SC(N4)C5CCCCC5)N | | OpenEye OEToolkits 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N |
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| Formula | C23 H24 N4 O4 S |
| Name | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5urm Chain B Residue 2501
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| Enzyme Commision number |
3.6.4.13: RNA helicase. |
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