MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03177106

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
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
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.92
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.92
FUA	FUSIDIC ACID	A	1QCA	0.72
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.72
FUA	FUSIDIC ACID	A,B	2VUF	0.72
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
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.76
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.92
SO1		A	1U2R	0.72
SO1		A	1N0U	0.72
SO1		T	2P8Y	0.72
SO1		T	2P8Z	0.72
GR3	3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID	B,D	1AWH	0.72
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.96
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H,L	2O5Z	0.7
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H	1DBK	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.89
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.89
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.92
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.92
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.71
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
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,C,D	1XV9	0.71
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,B	3CAV	0.71
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.79
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.72
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A	1QYW	0.7
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A,B,C	1OHS	0.7
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.73
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.79
2OB	CHOLESTERYL OLEATE	A	2OBD	0.7
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
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.7
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.7
ESR	ESTRADIOL	A,B,C,D	1OHP	0.7
AE2	AETIOCHOLANOLONE	A	2QP4	0.89
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.89
AE2	AETIOCHOLANOLONE	A	2QP3	0.89
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.89
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.89
AE2	AETIOCHOLANOLONE	H	1DBJ	0.89
AE2	AETIOCHOLANOLONE	A	1OV4	0.89
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.89
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