BDBM2483 (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one::CHEMBL223228::DMP-266::EFV::Efavirenz::Efavirenz (EFV)::L-743,726::Sustiva

SMILES: c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F

InChI Key: InChIKey=XPOQHMRABVBWPR-UHFFFAOYSA-N

Data: 29 KI  177 IC50  3 Kd  33 EC50  1 ITC

PDB links: 11 PDB IDs match this monomer.

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 251 hits for monomerid = 2483   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	85	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	47	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	38	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (HIV-1-Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	364	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1028,Y780C]/[600-1151,Y780C] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1028,Y787L]/[600-1151,Y787L] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1028,V705A,Y780C,C879S]/[600-1151,V705A,Y780C,C879S] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1028,L699I,K702N,C879S]/[600-1151,L699I,K702N,C879S] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1028,D666N,K669R,T814F,K818Q,C879S]/[600-1151,D666N,K669R,T814F,K818Q,C879S] (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	8.1	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	8.1	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.8	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM2483 (Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair