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Receptor Information

>8ftq Chain A (length=113) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KYLVEFRAGKMSLKGTTVTPDKRKGLVYIQQTDDSLIHFCWKDRTSGNVE
DDLIIFPDDCEFKRVPQCPSGRVYVLKFKAGSKRLFFWMQEPKTDQDEEH
CRKVNEYLNNPPM

Ligand ID

ZTO

InChI

InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1

InChIKey

PMXAOPMAOYNZJP-HXUWFJFHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F
CACTVS 3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2
ACDLabs 12.01	COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F
CACTVS 3.385	COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2

Formula

C23 H19 F N2 O3

Name

N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide

ChEMBL

DrugBank

ZINC

PDB chain

8ftq Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ftq A structure-based designed small molecule depletes hRpn13 Pru and a select group of KEN box proteins.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	M31 L33 V38 C88 F106 W108
Binding residue (residue number reindexed from 1)	M11 L13 V18 C68 F86 W88
Annotation score	1

Enzyme Commision number

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm

PDB	RCSB:8ftq, PDBe:8ftq, PDBj:8ftq
PDBsum	8ftq
PubMed	38509117
UniProt	Q16186\|ADRM1_HUMAN Proteasomal ubiquitin receptor ADRM1 (Gene Name=ADRM1)

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Structure of PDB 8ftq Chain A Binding Site BS01