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SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(O)=O

InChI Key: InChIKey=YMBANSQKTIDPCU-LEERKZHQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409447   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
HLA class I histocompatibility antigen, A alpha chain


(Homo sapiens (Human))		BDBM50409447
PNG
(CHEMBL407614)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C53H92N12O12/c1-13-30(9)40(49(73)61-39(25-29(7)8)48(72)65-43(33(12)67)51(75)63-41(52(76)77)31(10)14-2)62-45(69)36(21-18-22-57-53(55)56)58-50(74)42(32(11)66)64-47(71)38(24-28(5)6)60-46(70)37(23-27(3)4)59-44(68)35(54)26-34-19-16-15-17-20-34/h15-17,19-20,27-33,35-43,66-67H,13-14,18,21-26,54H2,1-12H3,(H,58,74)(H,59,68)(H,60,70)(H,61,73)(H,62,69)(H,63,75)(H,64,71)(H,65,72)(H,76,77)(H4,55,56,57)/t30-,31-,32+,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Edward Jenner Institute for Vaccine Research

Curated by ChEMBL


Assay Description
MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)

J Med Chem 44: 3572-81 (2001)


BindingDB Entry DOI: 10.7270/Q23B61B5
More data for this
Ligand-Target Pair