MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130107

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
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
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	0.71
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
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.79
GR4		H,I	1AWF	0.77
DOG	DIGOXIGENIN	A	1LKE	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.87
CA4	CYPROTERONE ACETATE	A	2OZ7	0.72
CLR	CHOLESTEROL	A,B	2ZXE	0.7
CLR	CHOLESTEROL	A	1N83	0.7
CLR	CHOLESTEROL	A	2RH1	0.7
CLR	CHOLESTEROL	A	1LRI	0.7
CLR	CHOLESTEROL	A	1ZHY	0.7
CLR	CHOLESTEROL	A	3D4S	0.7
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.78
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.78
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.8
AS4	ALDOSTERONE	A	2AA2	0.77
AS4	ALDOSTERONE	A	2Q1H	0.77
SNL	SPIRONOLACTONE	A,B	2AB2	0.78
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.78
0MA	maslinic acid	A	2QN2	0.74
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.79
C0R	CORTICOSTERONE	A	2A3I	0.81
C0R	CORTICOSTERONE	A,B	1Y5R	0.81
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
0AS	asiatic acid	A	2QN1	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.79
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.7
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.73
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	0.7
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.77
2OB	CHOLESTERYL OLEATE	A	2OBD	0.86
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.82
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
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
DEX	DEXAMETHASONE	A,D	1M2Z	0.75
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.75
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.75
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.86
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
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
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.71
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.78
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.78
803	LOVASTATIN	A,B	1CQP	0.71