BindingDB logo
myBDB logout

null

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)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=NPBOTRDPVSWBPZ-KHMFNRNYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409462   
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))		BDBM50409462
PNG
(CHEMBL412034)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)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/C53H80N10O12/c1-9-32(8)42(55)51(72)59-36(25-29(2)3)46(67)57-37(26-33-17-12-10-13-18-33)47(68)56-35(22-23-41(54)65)45(66)61-43(30(4)5)52(73)63-24-16-21-40(63)50(71)58-38(27-34-19-14-11-15-20-34)48(69)60-39(28-64)49(70)62-44(31(6)7)53(74)75/h10-15,17-20,29-32,35-40,42-44,64H,9,16,21-28,55H2,1-8H3,(H2,54,65)(H,56,68)(H,57,67)(H,58,71)(H,59,72)(H,60,69)(H,61,66)(H,62,70)(H,74,75)/t32-,35-,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2n/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