Structure of PDB 7ufv Chain A Binding Site BS01

Receptor Information
>7ufv Chain A (length=295) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEE
ASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTE
DHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCA
TFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTE
IWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQMKSPFGSSFRTFNA
TDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGNMDTVCRLYEV
Ligand information
Ligand IDN6O
InChIInChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1
InChIKeyIURDZXWYYGBBOU-INIZCTEOSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2c(c[nH]n2)C(=O)NC(CC(=O)N)c3cccc(c3)Cl)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2c(c[nH]n2)C(=O)N[C@@H](CC(=O)N)c3cccc(c3)Cl)F
CACTVS 3.385NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3
CACTVS 3.385NC(=O)C[C@H](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3
FormulaC19 H16 Cl F N4 O2
Name(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7ufv Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ufv Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T1139 H1140 Y1181 C1227 R1298 V1300 A1311 L1313 F1330 F1355 D1356 L1357
Binding residue
(residue number reindexed from 1)		T61 H62 Y103 C149 R220 V222 A233 L235 F241 F266 D267 L268
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Biological Process
GO:0016567 protein ubiquitination

View graph for
Biological Process
External links
PDB RCSB:7ufv, PDBe:7ufv, PDBj:7ufv
PDBsum7ufv
PubMed36948210
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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