MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381053

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
CAX	(2S,4S)-4-(2,2-DIHYDROXYETHYL)- 2,3,3-TRIMETHYLCYCLOPENTANONE	A,B,C,D,E,F, G,H,I,J,K,L	1SZO	0.78
EOD	11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID	A,B,C	2DIO	0.75
1NB	2-(2-HYDROXY-CYCLOPENTYL)-PENT- 4-ENAL	P	1BRU	0.72
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.79
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.83
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.73
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.79
OHA	10-oxohexadecanoic acid	A,B,C,D	2OD6	0.72
PAY	OCTANE-1,3,5,7-TETRACARBOXYLIC ACID	A,B	2V77	0.74
12H	12-HYDROXYDODECANOIC ACID	A,B	1M6W	0.73
F23	TRICOSANOIC ACID	A,B	1LLF	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.79
DGG	1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2- HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]- 3-[HEXADECANAL-1-YL]-GLYCEROL	A,B	1CQX	0.71
DCR	icosanoic acid	A,B,C,D	3EUT	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVK	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2DWD	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	C	2DWE	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVJ	0.73
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFF	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QJQ	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B	2GRX	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFG	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QKC	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1FI1	0.75
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B,C,D	3FXI	0.75
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.75
PLM	PALMITIC ACID	A	2UUI	0.73
PLM	PALMITIC ACID	A,B,C,D,E,F	2UWH	0.73
PLM	PALMITIC ACID	A,B	3EPY	0.73
PLM	PALMITIC ACID	A,B	2W3Y	0.73
PLM	PALMITIC ACID	A	1JTB	0.73
PLM	PALMITIC ACID	A	1M67	0.73
PLM	PALMITIC ACID	A	2Z6V	0.73
PLM	PALMITIC ACID	A,B	1E12	0.73
PLM	PALMITIC ACID	A,B	2GO3	0.73
PLM	PALMITIC ACID	A,B,C	2NWL	0.73
PLM	PALMITIC ACID	A	1MDC	0.73
PLM	PALMITIC ACID	A,B	3BDQ	0.73
PLM	PALMITIC ACID	A	3BFH	0.73
PLM	PALMITIC ACID	A	2DT8	0.73
PLM	PALMITIC ACID	A,B	2IES	0.73
PLM	PALMITIC ACID	1,4	1EV1	0.73
PLM	PALMITIC ACID	A	3BKR	0.73
PLM	PALMITIC ACID	A,B	1VPV	0.73
PLM	PALMITIC ACID	A,B,C	3EGL	0.73
PLM	PALMITIC ACID	A	2E9M	0.73
PLM	PALMITIC ACID	A	2VN0	0.73
PLM	PALMITIC ACID	A,B	2HPY	0.73
PLM	PALMITIC ACID	A	1N1G	0.73
PLM	PALMITIC ACID	A,B,C	2NWX	0.73
PLM	PALMITIC ACID	A	1B0O	0.73
PLM	PALMITIC ACID	A	2ZIY	0.73
PLM	PALMITIC ACID	A	1ACA	0.73
PLM	PALMITIC ACID	A	2ZWS	0.73
PLM	PALMITIC ACID	A	3FYS	0.73
PLM	PALMITIC ACID	A,B	1L9H	0.73
PLM	PALMITIC ACID	A	1SZ7	0.73
PLM	PALMITIC ACID	A,C,E	1O6U	0.73
PLM	PALMITIC ACID	A,B	2NNH	0.73
PLM	PALMITIC ACID	A,B	2DEB	0.73
PLM	PALMITIC ACID	A,B,C	2DQZ	0.73
PLM	PALMITIC ACID	A	2FIK	0.73
PLM	PALMITIC ACID	A	1M66	0.73
PLM	PALMITIC ACID	1,4	1HXS	0.73
PLM	PALMITIC ACID	A,B	2Z73	0.73
PLM	PALMITIC ACID	A	2PFC	0.73
PLM	PALMITIC ACID	A	2IFB	0.73
PLM	PALMITIC ACID	A	2HMB	0.73
PLM	PALMITIC ACID	A	1EH5	0.73
PLM	PALMITIC ACID	A,B	3CAP	0.73
PLM	PALMITIC ACID	A,B	1U19	0.73
PLM	PALMITIC ACID	A,B,C	2DQY	0.73
PLM	PALMITIC ACID	A,C	2Q7Y	0.73
PLM	PALMITIC ACID	A	1BE2	0.73
PLM	PALMITIC ACID	A,B	1PQ2	0.73
PLM	PALMITIC ACID	A,B	1HZX	0.73
PLM	PALMITIC ACID	A	1NVL	0.73
PLM	PALMITIC ACID	A,B	2PED	0.73
PLM	PALMITIC ACID	A	1O8V	0.73
PLM	PALMITIC ACID	A,B	1GZM	0.73
PLM	PALMITIC ACID	A	2JAF	0.73
PLM	PALMITIC ACID	A	2NNI	0.73
PLM	PALMITIC ACID	A	2E9L	0.73
PLM	PALMITIC ACID	A	1LIE	0.73
PLM	PALMITIC ACID	A	3BKS	0.73
PLM	PALMITIC ACID	E,K,Q,W	3CUE	0.73
PLM	PALMITIC ACID	A	3DQB	0.73
PLM	PALMITIC ACID	A	2HNX	0.73
PLM	PALMITIC ACID	A	1PZ4	0.73
PLM	PALMITIC ACID	A	1MGP	0.73
PLM	PALMITIC ACID	A	1MZM	0.73
PLM	PALMITIC ACID	A	2NNJ	0.73
PLM	PALMITIC ACID	A	1E7H	0.73
PLM	PALMITIC ACID	A,B	1PZX	0.73
PLM	PALMITIC ACID	A	1URE	0.73
PLM	PALMITIC ACID	A	2RH1	0.73
PLM	PALMITIC ACID	A	2UUH	0.73
PLM	PALMITIC ACID	A	3C9L	0.73
PLM	PALMITIC ACID	A,B	2QZT	0.73
PLM	PALMITIC ACID	1,4	1COV	0.73
PLM	PALMITIC ACID	A,B	2IER	0.73
PLM	PALMITIC ACID	A,B,C	2IU8	0.73
PLM	PALMITIC ACID	A,B,C	2IUA	0.73
PLM	PALMITIC ACID	A	1LV2	0.73
PLM	PALMITIC ACID	A	3DBX	0.73
PLM	PALMITIC ACID	A	1B56	0.73
PLM	PALMITIC ACID	A	2JAG	0.73
PLM	PALMITIC ACID	A,B,C	2I36	0.73
PLM	PALMITIC ACID	A,B,C	2IU9	0.73
PLM	PALMITIC ACID	A,B	2G87	0.73
PLM	PALMITIC ACID	A	1GXA	0.73
PLM	PALMITIC ACID	A	2ZOX	0.73
PLM	PALMITIC ACID	A	2I35	0.73
HXD	(3R)-3-HYDROXYDODECANOIC ACID	A	2DDH	0.75
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8P	0.77
DEB	6-DEOXYERYTHRONOLIDE B	A	1JIO	0.77
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8Q	0.77
DEB	6-DEOXYERYTHRONOLIDE B	A	1OXA	0.77
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8O	0.77
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.71
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Y	0.73
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Z	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH1	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH3	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	A,C	2P7T	0.73
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.76
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.76
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	2FCP	0.72
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	1FCP	0.72
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.74
0PA	cyclopentylacetic acid	A,B	3DWR	0.75
STE	STEARIC ACID	A,B	1XXS	0.73
STE	STEARIC ACID	A,B	3CJD	0.73
STE	STEARIC ACID	A,B	1UVC	0.73
STE	STEARIC ACID	A	1K4W	0.73
STE	STEARIC ACID	A	1E7I	0.73
STE	STEARIC ACID	A	1FK4	0.73
STE	STEARIC ACID	A	1HMT	0.73
STE	STEARIC ACID	A	1LIF	0.73
STE	STEARIC ACID	A	2FVA	0.73
STE	STEARIC ACID	A,B	3FLV	0.73
STE	STEARIC ACID	A	3EML	0.73
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.76
AE2	AETIOCHOLANOLONE	A	2QP4	0.73
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.73
AE2	AETIOCHOLANOLONE	A	2QP3	0.73
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.73
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.73
AE2	AETIOCHOLANOLONE	H	1DBJ	0.73
AE2	AETIOCHOLANOLONE	A	1OV4	0.73
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.73
DGA	DIACYL GLYCEROL	A,C	2NLJ	0.72
DGA	DIACYL GLYCEROL	A,C	1ZWI	0.72
DGA	DIACYL GLYCEROL	B,C	1R3J	0.72
DGA	DIACYL GLYCEROL	C	1K4D	0.72
DGA	DIACYL GLYCEROL	A,C	1K4C	0.72
DGA	DIACYL GLYCEROL	C	1R3K	0.72
DGA	DIACYL GLYCEROL	B,C	1S5H	0.72
DGA	DIACYL GLYCEROL	C,H	1R3I	0.72
DGA	DIACYL GLYCEROL	B,C	1R3L	0.72
HOC	(2S)-2-HYDROXYOCTANOIC ACID	A	2A85	0.73
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.76
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.76
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HFE	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2H8P	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HG5	0.71
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVD	0.82
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVE	0.82
CHD	CHOLIC ACID	A,B	2PNJ	0.76
CHD	CHOLIC ACID	A,B	1HRK	0.76
CHD	CHOLIC ACID	A,B	2PO7	0.76
CHD	CHOLIC ACID	A	2QO6	0.76
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.76
CHD	CHOLIC ACID	A	2AZY	0.76
CHD	CHOLIC ACID	A,B,C	2DQY	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.76
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.76
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.76
CHD	CHOLIC ACID	A	2FT9	0.76
CHD	CHOLIC ACID	A,B	2HRC	0.76
CHD	CHOLIC ACID	A,B	1TW4	0.76
CHD	CHOLIC ACID	A,B	2QD3	0.76
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.76
CHD	CHOLIC ACID	A	2RLC	0.76
CHD	CHOLIC ACID	A,B	1ON5	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.76
CHD	CHOLIC ACID	A,B	2QD4	0.76
CHD	CHOLIC ACID	A	2QO5	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.76
CHD	CHOLIC ACID	A,B	2QD2	0.76
CHD	CHOLIC ACID	A,B,C	3ELZ	0.76
CHD	CHOLIC ACID	A,B	2PO5	0.76
CHD	CHOLIC ACID	A,B	1S9Q	0.76
CHD	CHOLIC ACID	A,B	1EE2	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.76
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.76
CHD	CHOLIC ACID	A,B	2QD5	0.76
CHD	CHOLIC ACID	A,B	3EM0	0.76
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.76
CHD	CHOLIC ACID	A	2QO4	0.76
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.76