MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00463702

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
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.74
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.74
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.74
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.74
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.74
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
LAN	LANOSTEROL	A	1W6K	0.71
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
FUA	FUSIDIC ACID	A	1QCA	0.77
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.77
FUA	FUSIDIC ACID	A,B	2VUF	0.77
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.72
AS4	ALDOSTERONE	A	2AA2	0.75
AS4	ALDOSTERONE	A	2Q1H	0.75
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.76
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
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.71
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.79
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.87
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	0.79
KH1	5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)- ETHYL]-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE}-ETHYLIDENE)-4-METHYLENE- CYCLOHEXANE-1,3-DIOL	A	1IE8	0.7
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.78
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.78
CLR	CHOLESTEROL	A,B	2ZXE	0.78
CLR	CHOLESTEROL	A	1N83	0.78
CLR	CHOLESTEROL	A	2RH1	0.78
CLR	CHOLESTEROL	A	1LRI	0.78
CLR	CHOLESTEROL	A	1ZHY	0.78
CLR	CHOLESTEROL	A	3D4S	0.78
0AS	asiatic acid	A	2QN1	0.78
C0R	CORTICOSTERONE	A	2A3I	0.79
C0R	CORTICOSTERONE	A,B	1Y5R	0.79
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.76
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.76
CA4	CYPROTERONE ACETATE	A	2OZ7	0.73
SNL	SPIRONOLACTONE	A,B	2AB2	0.78
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.78
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	0.86
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
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.85
DOG	DIGOXIGENIN	A	1LKE	0.72
GR4		H,I	1AWF	0.71
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.85
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,B	1J78	0.71
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,D	1MZ9	0.71
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	0.81
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.78
DEX	DEXAMETHASONE	A,D	1M2Z	0.73
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.73
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.82
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.96
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.71
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
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
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.74
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.74
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.74
ERG	ERGOSTEROL	A	1BXM	0.75
ERG	ERGOSTEROL	A	1ZHZ	0.75
ERG	ERGOSTEROL	A,B	2AIB	0.75
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.87
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.87
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.87
2OB	CHOLESTERYL OLEATE	A	2OBD	0.96
803	LOVASTATIN	A,B	1CQP	0.76
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.76
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.71
0MA	maslinic acid	A	2QN2	0.8
DTX	DIGITOXIGENIN	A	1LNM	0.73
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.74
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.71
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	1S0X	0.79
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	2Q9F	0.79
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A,B,C	2HKA	0.79
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.72
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
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.85
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.72
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.72