MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381054

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
1NB	2-(2-HYDROXY-CYCLOPENTYL)-PENT- 4-ENAL	P	1BRU	0.72
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.79
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
12H	12-HYDROXYDODECANOIC ACID	A,B	1M6W	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
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	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
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
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.74
0PA	cyclopentylacetic acid	A,B	3DWR	0.75
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
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
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