MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03177210

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
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.78
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.71
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.71
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.92
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.92
AE2	AETIOCHOLANOLONE	A	2QP4	0.88
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.88
AE2	AETIOCHOLANOLONE	A	2QP3	0.88
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.88
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.88
AE2	AETIOCHOLANOLONE	H	1DBJ	0.88
AE2	AETIOCHOLANOLONE	A	1OV4	0.88
CHD	CHOLIC ACID	A,B	2PNJ	0.92
CHD	CHOLIC ACID	A,B	1HRK	0.92
CHD	CHOLIC ACID	A,B	2PO7	0.92
CHD	CHOLIC ACID	A	2QO6	0.92
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.92
CHD	CHOLIC ACID	A	2AZY	0.92
CHD	CHOLIC ACID	A,B,C	2DQY	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.92
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.92
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.92
CHD	CHOLIC ACID	A	2FT9	0.92
CHD	CHOLIC ACID	A,B	2HRC	0.92
CHD	CHOLIC ACID	A,B	1TW4	0.92
CHD	CHOLIC ACID	A,B	2QD3	0.92
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.92
CHD	CHOLIC ACID	A	2RLC	0.92
CHD	CHOLIC ACID	A,B	1ON5	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.92
CHD	CHOLIC ACID	A,B	2QD4	0.92
CHD	CHOLIC ACID	A	2QO5	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.92
CHD	CHOLIC ACID	A,B	2QD2	0.92
CHD	CHOLIC ACID	A,B,C	3ELZ	0.92
CHD	CHOLIC ACID	A,B	2PO5	0.92
CHD	CHOLIC ACID	A,B	1S9Q	0.92
CHD	CHOLIC ACID	A,B	1EE2	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.92
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.92
CHD	CHOLIC ACID	A,B	2QD5	0.92
CHD	CHOLIC ACID	A,B	3EM0	0.92
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.92
CHD	CHOLIC ACID	A	2QO4	0.92
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.92
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.88
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.71
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.92
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.7
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.7
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.96
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.92
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.92
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.77
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.77
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.77
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.94
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.94
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H,L	2O5Z	0.72
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H	1DBK	0.72
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVD	0.71
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVE	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.88
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.88
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,C,D	1XV9	0.74
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,B	3CAV	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.7
2OB	CHOLESTERYL OLEATE	A	2OBD	0.72
FUA	FUSIDIC ACID	A	1QCA	0.71
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.71
FUA	FUSIDIC ACID	A,B	2VUF	0.71
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A	1QYW	0.72
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A,B,C	1OHS	0.72
TES	TESTOSTERONE	A	1JTV	0.71
TES	TESTOSTERONE	A	2Q7L	0.71
TES	TESTOSTERONE	A	2Q7I	0.71
TES	TESTOSTERONE	A,B	1J96	0.71
TES	TESTOSTERONE	A	2Q7K	0.71
TES	TESTOSTERONE	A,B	1Q13	0.71
TES	TESTOSTERONE	H	1I9J	0.71
TES	TESTOSTERONE	A,B	1AFS	0.71
TES	TESTOSTERONE	H	1VPO	0.71
TES	TESTOSTERONE	A	2Q7J	0.71
TES	TESTOSTERONE	A,B	3BUR	0.71
TES	TESTOSTERONE	A	2AM9	0.71
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.7
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.78
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.71
ESR	ESTRADIOL	A,B,C,D	1OHP	0.72
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.75
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.72
NTH	SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER	A,B	1BUQ	0.76