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SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=OQHOTDQQFPUCMD-GOANTBCRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409443   
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))		BDBM50409443
PNG
(CHEMBL426344)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C48H76N10O14/c1-9-27(8)37(50)46(69)54-30(20-24(2)3)41(64)52-32(22-36(61)62)43(66)51-29(17-18-35(49)60)40(63)56-38(25(4)5)47(70)58-19-13-16-34(58)45(68)53-31(21-28-14-11-10-12-15-28)42(65)55-33(23-59)44(67)57-39(26(6)7)48(71)72/h10-12,14-15,24-27,29-34,37-39,59H,9,13,16-23,50H2,1-8H3,(H2,49,60)(H,51,66)(H,52,64)(H,53,68)(H,54,69)(H,55,65)(H,56,63)(H,57,67)(H,61,62)(H,71,72)/t27-,29-,30-,31-,32-,33-,34-,37-,38-,39-/m0/s1
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.30n/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