Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 4pe5 Chain D Binding Site BS01

Receptor Information >4pe5 Chain D (length=727) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] PPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSI ITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSS MIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQD FVNKIRSTIENSFVGWELEEVLLLDMSLDDGDCKIQNQLKKLQSPIILLY CTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVS YDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQ SNMLNRYLINVTFEGRDLSFSEDGYQMHPKLVIILLNKERKWERVGKWKD KSLQMKYYVWPRMTQDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQ KRYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIG EVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRFLEPFSACV WVMMFVMLLIGKAIWLLWGLVFIMVSVWAFFAVIFLASYTANLAAFMIQE EYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMG KFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVF ASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHEVMSS QLDCDNMAGVFYMLGAAMALSLITFIS

Ligand information Ligand ID QEL InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1 InChIKey UYNVMODNBIQBMV-KKSFZXQISA-N SMILES Software SMILES OpenEye OEToolkits 1.7.0 CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 CACTVS 3.370 C[CH]([CH](O)c1ccc(O)cc1)N2CC[CH](CC2)Cc3ccccc3 ACDLabs 12.01 OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3ccccc3)C OpenEye OEToolkits 1.7.0 C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 CACTVS 3.370 C[C@@H]([C@H](O)c1ccc(O)cc1)N2CC[C@@H](CC2)Cc3ccccc3 Formula C21 H27 N O2 Name 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; Ifenprodil ChEMBL CHEMBL49623 DrugBank ZINC ZINC000000014669 PDB chain 4pe5 Chain C Residue 939 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4pe5 Crystal structure of a heterotetrameric NMDA receptor ion channel. Resolution 3.96 Å Binding residue (original residue number in PDB) Q110 I111 F114 E236 Binding residue (residue number reindexed from 1) Q79 I80 F83 E205 Annotation score 1 Binding affinity BindingDB: IC50=20nM,Ki=11nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005216 monoatomic ion channel activity GO:0015276 ligand-gated monoatomic ion channel activity GO:0038023 signaling receptor activity

	Biological Process
GO:0006811	monoatomic ion transport

	Cellular Component
GO:0016020	membrane

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component