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BDBM793 (2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[2-(naphthalen-1-yloxy)acetamido]butanediamide::KNI-174::Noa-Asn-Apns-Dmt-NH-tBu

SMILES: CC(C)(C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12

InChI Key: InChIKey=UFSMRNQSQSGJII-QYRZKEDASA-N

Data: 1 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 793   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM793
PNG
((2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,...)
Show SMILES CC(C)(C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 |r|
Show InChI InChI=1S/C36H45N5O7S/c1-35(2,3)40-33(46)31-36(4,5)49-21-41(31)34(47)30(44)25(18-22-12-7-6-8-13-22)39-32(45)26(19-28(37)42)38-29(43)20-48-27-17-11-15-23-14-9-10-16-24(23)27/h6-17,25-26,30-31,44H,18-21H2,1-5H3,(H2,37,42)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,30-,31+/m0/s1
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Similars
Article
PubMed
 0.00680 -15.8n/an/an/an/an/a6.237



National Cancer Institute



Assay Description
Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...

Antimicrob Agents Chemother 37: 810-7 (1993)


Article DOI: 10.1128/aac.37.4.810
BindingDB Entry DOI: 10.7270/Q2KH0KHT
More data for this
Ligand-Target Pair