MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02353226

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
DME	DECAMETHONIUM ION	A,B,C,D	1MAA	0.93
DME	DECAMETHONIUM ION	A	1ACL	0.93
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A,B,C,D,E,F	1GVM	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	2PRL	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	1D3G	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A,B,C,D	2F6M	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	1QFF	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	X	1W52	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	1FI1	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A,B	1HCX	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	2PRH	0.78
DDQ	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	A	1QFG	0.78
10A	DIDECYL-DIMETHYL-AMMONIUM	A,B,C,D	1KPH	0.87
10A	DIDECYL-DIMETHYL-AMMONIUM	A	1KPI	0.87
TBA	TETRABUTYLAMMONIUM ION	I,L	2BOB	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2DWD	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2HVJ	0.76
TBA	TETRABUTYLAMMONIUM ION	C	2DWE	0.76
TBA	TETRABUTYLAMMONIUM ION	A,B	1J95	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2HVK	0.76
TBA	TETRABUTYLAMMONIUM ION	A	1JVM	0.76
TBA	TETRABUTYLAMMONIUM ION	C	2HJF	0.76
16A	CETYL-TRIMETHYL-AMMONIUM	A	3HF0	0.9
16A	CETYL-TRIMETHYL-AMMONIUM	A,B,C,D	1KPG	0.9
16A	CETYL-TRIMETHYL-AMMONIUM	A	1TPY	0.9
DR0	N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN- 1-AMINIUM	A	2ASC	0.73
CAT	DODECANE-TRIMETHYLAMINE	A,B	2SHP	0.93
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HG3	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M,R,S	1S00	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	3C1H	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2GNU	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2R4P	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RGN	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	1R2C	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DU3	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2BOZ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1K6L	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	1T16	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1FNP	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2R4O	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UWU	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HG9	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2JIY	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C	2R4L	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	1GZM	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DSY	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2J8C	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1F7S	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	3DWN	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2GMR	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M,U	1DXR	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M	1MPS	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UXL	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RZH	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C,D	3DWK	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	2JBL	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	6PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	3HB3	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UWT	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1UMX	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RG5	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C	2F1T	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	1AR1	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	7PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2IWW	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2J8D	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	1VRN	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1YIV	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2R4N	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,D	3EHB	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DTR	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	1C8U	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M,R,S,T	1DS8	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	1T1L	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1THQ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1FNQ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UXJ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C,D	3BEH	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1KMO	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	1L9B	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	2Z76	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HJ6	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M	1PCR	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	2I5N	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DTA	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C	1E14	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1SQC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UX5	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DTS	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1K6N	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	3C1I	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M	1YF6	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C	2GVM	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	1PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UX3	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M,R,S	1RZZ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DUQ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M,R,S,T	1DV6	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	3PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UWW	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UWV	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RQK	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1XKW	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	2PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UX4	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M,R,S	1AIJ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HHK	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1F6N	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	5PRC	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1KMP	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C,D	2IWV	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C,D,E,F, G,H,I,L	1OJD	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HIT	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M,R,S,T	1DV3	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	2HDI	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2IRV	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,R,S	2FKW	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	3DU2	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,D,L,M,R,S	1L9J	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	3C9L	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	L,M,X	2UXM	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C	1E6D	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RVJ	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	2I2Q	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	1RY5	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A,B	2VQI	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	1EYS	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UWS	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2HH1	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	H,L,M	2UXK	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	C,H,L,M	3D38	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	1UJW	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	A	2GSK	0.78
LDA	LAURYL DIMETHYLAMINE-N-OXIDE	P	1SKN	0.78
DET	UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE	A,B,D,E,G,H, J,K	1LGH	0.78