Structure of PDB 6jp7 Chain L Binding Site BS01

Receptor Information
>6jp7 Chain L (length=216) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVELTQSPSASASLGTSVKLTCTLSSGHSTYAIAWHQQRPGKGPRYLMNL
SSGGRHTRGDGIPDRFSGSSSGADRYLIISSLQSEDEADYYCQTWDAGMV
FGGGTKLTVLGQSKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTV
AWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVT
HEGSTVEKTVAPTECS
Ligand information
Ligand ID3FX
InChIInChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1
InChIKeyINEWUCPYEUEQTN-SECBINFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1CCC(CC1)NCC(CS(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)CC(O)CNC1CCCCC1
OpenEye OEToolkits 1.7.2C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O
CACTVS 3.370O[C@H](CNC1CCCCC1)C[S](O)(=O)=O
CACTVS 3.370O[CH](CNC1CCCCC1)C[S](O)(=O)=O
FormulaC9 H19 N O4 S
Name(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000002168584
PDB chain6jp7 Chain L Residue 801 [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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PDB6jp7 ?
Resolution1.909 Å
Binding residue
(original residue number in PDB)		V101 F102
Binding residue
(residue number reindexed from 1)		V100 F101
Annotation score1
External links