MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00461376

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
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.73
0MA	maslinic acid	A	2QN2	0.78
AS4	ALDOSTERONE	A	2AA2	0.85
AS4	ALDOSTERONE	A	2Q1H	0.85
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.87
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.87
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.87
DEX	DEXAMETHASONE	A,D	1M2Z	0.8
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.8
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.8
WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)- 15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}- 3,11,12-trihydroxy-2,16-dioxo-13,20- epoxypicras-3-en-21-oate	0,1,2,3,9,A, B,C,F,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	3G71	0.72
GR4		H,I	1AWF	0.77
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.73
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
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.83
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.83
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.83
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.83
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.83
CA4	CYPROTERONE ACETATE	A	2OZ7	0.72
DOG	DIGOXIGENIN	A	1LKE	0.76
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.81
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.82
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.84
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.84
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.84
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.84
803	LOVASTATIN	A,B	1CQP	0.72
ERG	ERGOSTEROL	A	1BXM	0.71
ERG	ERGOSTEROL	A	1ZHZ	0.71
ERG	ERGOSTEROL	A,B	2AIB	0.71
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	1
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	1
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	1
STR	PROGESTERONE	A	1H60	0.74
STR	PROGESTERONE	A,B,C	1YA3	0.74
STR	PROGESTERONE	A,B	2AA6	0.74
STR	PROGESTERONE	A	1MRQ	0.74
STR	PROGESTERONE	A,B	1A28	0.74
STR	PROGESTERONE	A,B	2AA5	0.74
STR	PROGESTERONE	A	2HZQ	0.74
STR	PROGESTERONE	A	1W0F	0.74
STR	PROGESTERONE	A	2ABA	0.74
STR	PROGESTERONE	A,B	3COT	0.74
STR	PROGESTERONE	H	1DBB	0.74
STR	PROGESTERONE	H,L	2O5Y	0.74
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.85
0AS	asiatic acid	A	2QN1	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	0.88
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.9
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.9
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
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.73
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.8
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.8
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	0.99
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.84
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.84
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.8
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.8
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.71
LAN	LANOSTEROL	A	1W6K	0.72
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.74
C0R	CORTICOSTERONE	A	2A3I	0.85
C0R	CORTICOSTERONE	A,B	1Y5R	0.85
TES	TESTOSTERONE	A	1JTV	0.87
TES	TESTOSTERONE	A	2Q7L	0.87
TES	TESTOSTERONE	A	2Q7I	0.87
TES	TESTOSTERONE	A,B	1J96	0.87
TES	TESTOSTERONE	A	2Q7K	0.87
TES	TESTOSTERONE	A,B	1Q13	0.87
TES	TESTOSTERONE	H	1I9J	0.87
TES	TESTOSTERONE	A,B	1AFS	0.87
TES	TESTOSTERONE	H	1VPO	0.87
TES	TESTOSTERONE	A	2Q7J	0.87
TES	TESTOSTERONE	A,B	3BUR	0.87
TES	TESTOSTERONE	A	2AM9	0.87
DTX	DIGITOXIGENIN	A	1LNM	0.77
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.84
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.98
FUA	FUSIDIC ACID	A	1QCA	0.81
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.81
FUA	FUSIDIC ACID	A,B	2VUF	0.81
SNL	SPIRONOLACTONE	A,B	2AB2	0.8
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.8
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	1S0X	0.71
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	2Q9F	0.71
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A,B,C	2HKA	0.71
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.88
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.84
2OB	CHOLESTERYL OLEATE	A	2OBD	0.84
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.85
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.71
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	0.71
114	COMPACTIN	A,B,C,D	1HW8	0.71
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	0.75
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.81
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	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	0.71
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.8
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.73
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.73
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.73
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.73
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.73
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.73
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