MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03224980

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
DTX	DIGITOXIGENIN	A	1LNM	0.71
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.81
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.81
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.81
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.89
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.89
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.78
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.78
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.78
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.78
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.8
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.73
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.73
LVA	(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID	A,B	1T02	0.74
114	COMPACTIN	A,B,C,D	1HW8	0.74
MVB	(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL	A,B,C	1YA8	0.75
0MA	maslinic acid	A	2QN2	0.91
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.73
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.73
AS4	ALDOSTERONE	A	2AA2	0.74
AS4	ALDOSTERONE	A	2Q1H	0.74
CLR	CHOLESTEROL	A,B	2ZXE	0.74
CLR	CHOLESTEROL	A	1N83	0.74
CLR	CHOLESTEROL	A	2RH1	0.74
CLR	CHOLESTEROL	A	1LRI	0.74
CLR	CHOLESTEROL	A	1ZHY	0.74
CLR	CHOLESTEROL	A	3D4S	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.94
0AS	asiatic acid	A	2QN1	0.93
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.81
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.82
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.71
DEX	DEXAMETHASONE	A,D	1M2Z	0.71
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.71
ERG	ERGOSTEROL	A	1BXM	0.71
ERG	ERGOSTEROL	A	1ZHZ	0.71
ERG	ERGOSTEROL	A,B	2AIB	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.8
2OB	CHOLESTERYL OLEATE	A	2OBD	0.8
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	0.76
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.8
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.73
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	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	0.8
FUA	FUSIDIC ACID	A	1QCA	0.76
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.76
FUA	FUSIDIC ACID	A,B	2VUF	0.76
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.71
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.74
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.74
TES	TESTOSTERONE	A	1JTV	0.81
TES	TESTOSTERONE	A	2Q7L	0.81
TES	TESTOSTERONE	A	2Q7I	0.81
TES	TESTOSTERONE	A,B	1J96	0.81
TES	TESTOSTERONE	A	2Q7K	0.81
TES	TESTOSTERONE	A,B	1Q13	0.81
TES	TESTOSTERONE	H	1I9J	0.81
TES	TESTOSTERONE	A,B	1AFS	0.81
TES	TESTOSTERONE	H	1VPO	0.81
TES	TESTOSTERONE	A	2Q7J	0.81
TES	TESTOSTERONE	A,B	3BUR	0.81
TES	TESTOSTERONE	A	2AM9	0.81
DOG	DIGOXIGENIN	A	1LKE	0.7
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.81
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.81
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.81
CO1	17-[3-(3,3-DIMETHYL-OXIRANYL)-1- METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 3-OL	A,B	1P8D	0.73
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.73
ATE	16,17-ANDROSTENE-3-OL	A,B	1XNX	0.71
803	LOVASTATIN	A,B	1CQP	0.76
C0R	CORTICOSTERONE	A	2A3I	0.77
C0R	CORTICOSTERONE	A,B	1Y5R	0.77
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.76
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.71
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.74
LAN	LANOSTEROL	A	1W6K	0.74
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.71
CHD	CHOLIC ACID	A,B	2PNJ	0.71
CHD	CHOLIC ACID	A,B	1HRK	0.71
CHD	CHOLIC ACID	A,B	2PO7	0.71
CHD	CHOLIC ACID	A	2QO6	0.71
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.71
CHD	CHOLIC ACID	A	2AZY	0.71
CHD	CHOLIC ACID	A,B,C	2DQY	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.71
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.71
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.71
CHD	CHOLIC ACID	A	2FT9	0.71
CHD	CHOLIC ACID	A,B	2HRC	0.71
CHD	CHOLIC ACID	A,B	1TW4	0.71
CHD	CHOLIC ACID	A,B	2QD3	0.71
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.71
CHD	CHOLIC ACID	A	2RLC	0.71
CHD	CHOLIC ACID	A,B	1ON5	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.71
CHD	CHOLIC ACID	A,B	2QD4	0.71
CHD	CHOLIC ACID	A	2QO5	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.71
CHD	CHOLIC ACID	A,B	2QD2	0.71
CHD	CHOLIC ACID	A,B,C	3ELZ	0.71
CHD	CHOLIC ACID	A,B	2PO5	0.71
CHD	CHOLIC ACID	A,B	1S9Q	0.71
CHD	CHOLIC ACID	A,B	1EE2	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.71
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.71
CHD	CHOLIC ACID	A,B	2QD5	0.71
CHD	CHOLIC ACID	A,B	3EM0	0.71
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.71
CHD	CHOLIC ACID	A	2QO4	0.71
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.71
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.74
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.71