Structure of PDB 5urj Chain A Binding Site BS01 |
| >5urj Chain A (length=1707) Species: 9606 (Homo sapiens)
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LAPRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALKP
KPFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLC
APTGAGKTNVALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMV
GSFGKRLATYGITVAELTGEISATQIIVCTPEKWDIITRKGGERTYTQLV
RLIILDEIHLLHDDRGPVLEALVARAIRNIEMTQEDVRLIGLSATLPNYE
DVATFLRVDPAKGLFYFDNSFRPVPLEQTYVGITEKKAIKRFQIMNEIVY
EKIMEHAGKNQVLVFVHSRKETGKTARAIRDMCLEKDTLGLFLREGSAST
EVLRTEAEQCKNLELKDLLPYGFAIHHAGMTRVDRTLVEDLFADKHIQVL
VSTATLAWGVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQMLGRAGRP
QYDTKGEGILITSHGELQYYLSLLNQQLPIESQMVSKLPDMLNAEIVLGN
VQNAKDAVNWLGYAYLYIRMLRSPTLYGISHDDLKGDPLLDQRRLDLVHT
AALMLDKNNLVKYDKKTGNFQVTELGRIASHYYITNDTVQTYNQLLKPTL
SEIELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKESIEEPSAKI
NVLLQAFISQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNRGWAQLTD
KTLNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFERLYDLNHN
EIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPITRSTLKVELTITPDFQ
WDEKVHGSSEAFWILVEDVDSEVILHHEYFLLKAKYAQDEHLITFFVPVF
EPLPPQYFIRVVSDRWLSCETQLPVSFRHLILPEKYPPPTELLDLQPLPV
SALRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTIC
AEFAILRMLLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLNKKVVLLT
GETSTDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLI
GGENGPVLEVICSRMRYISSQIERPIRIVALSSSLSNAKDVAHWLGCSAT
STFNFHPNVRPVPLELHIQGFNISHTQTRLLSMAKPVYHAITKHSPKKPV
IVFVPSRKQTRLTAIDILTTCAADIQRQRFLHCTEKDLIPYLEKLSDSTL
KETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCWGMNVAAH
LVIIMDTQYYNGKIHAYVDYPIYDVLQMVGHANRPLQDDEGRCVIMCQGS
KKDFFKKFLYEPLPVESHLDHCMHDHFNAEIVTKTIENKQDAVDYLTWTF
LYRRMTQNPNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCISIEDEMD
VAPLNLGMIAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNAAEYENIP
IRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRMQLSAELQ
SDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQAMWSKDSY
LKQLPHFTSEHIKRCTDESVFDIDEERNALLQLTDSQIADVARFCNRYPN
IELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVIAPLFPQKREEGWWV
VIGDAKSNSLISIKRLTLQQKAKVKLDFVAPATGAHNYTLYFMSDAYMGC
DQEYKFS |
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| Ligand ID | 8LS |
| InChI | InChI=1S/C29H25FN4O3/c1-18-12-20-9-10-25(28-22(30)8-5-11-31-28)37-26(20)14-24(18)34-17-21-16-33(15-19-6-3-2-4-7-19)27(35)13-23(21)32-29(34)36/h2-8,11-12,14,16,25H,9-10,13,15,17H2,1H3/t25-/m1/s1 |
| InChIKey | IHLUBSALJUDYDX-RUZDIDTESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Cc1cc2CC[CH](Oc2cc1N3CC4=CN(Cc5ccccc5)C(=O)CC4=NC3=O)c6ncccc6F | | CACTVS 3.385 | Cc1cc2CC[C@@H](Oc2cc1N3CC4=CN(Cc5ccccc5)C(=O)CC4=NC3=O)c6ncccc6F | | OpenEye OEToolkits 2.0.6 | Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)OC(CC2)c6c(cccn6)F | | OpenEye OEToolkits 2.0.6 | Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F | | ACDLabs 12.01 | c51CCC(Oc1cc(N4CC3=CN(Cc2ccccc2)C(CC3=NC4=O)=O)c(C)c5)c6c(cccn6)F |
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| Formula | C29 H25 F N4 O3 |
| Name | 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5urj Chain A Residue 2202
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| Enzyme Commision number |
3.6.4.13: RNA helicase. |
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